Package org.jmol.viewer
Class JC
- java.lang.Object
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- org.jmol.viewer.JC
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public final class JC extends java.lang.Object
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Field Summary
Fields Modifier and Type Field Description static java.lang.StringADD_HYDROGEN_TITLEstatic java.lang.StringallowedQuaternionFramesstatic intALPHA_CARBON_VISIBILITY_FLAGstatic int[]altArgbsCpkstatic floatANGSTROMS_PER_BOHRstatic int[]argbsFormalChargestatic intargbsIsosurfaceNegativestatic intargbsIsosurfacePositivestatic int[]argbsRoygbScalestatic int[]argbsRwbScalestatic byteATOMID_ALPHA_CARBONstatic intATOMID_ALPHA_ONLY_MASKstatic byteATOMID_AMINO_NITROGENstatic byteATOMID_C1_PRIMEstatic byteATOMID_C2static byteATOMID_C2_PRIMEstatic byteATOMID_C3_PRIMEstatic byteATOMID_C4static byteATOMID_C4_PRIMEstatic byteATOMID_C5static byteATOMID_C5_PRIMEstatic byteATOMID_C5Mstatic byteATOMID_C6static byteATOMID_C7static byteATOMID_C8static byteATOMID_CARBONYL_CARBONstatic byteATOMID_CARBONYL_OD1static byteATOMID_CARBONYL_OD2static byteATOMID_CARBONYL_OE1static byteATOMID_CARBONYL_OE2static byteATOMID_CARBONYL_OXYGENstatic intATOMID_DISTINGUISHING_ATOM_MAXstatic byteATOMID_H3T_TERMINUSstatic byteATOMID_H5T_TERMINUSstatic byteATOMID_HO3_PRIMEstatic byteATOMID_HO5_PRIMEstatic byteATOMID_N1static byteATOMID_N2static byteATOMID_N3static byteATOMID_N4static byteATOMID_N6static byteATOMID_N7static byteATOMID_N9static intATOMID_NUCLEIC_MASKstatic byteATOMID_NUCLEIC_PHOSPHORUSstatic byteATOMID_O1static byteATOMID_O1Pstatic byteATOMID_O2static byteATOMID_O2_PRIMEstatic byteATOMID_O2Pstatic byteATOMID_O3_PRIMEstatic byteATOMID_O4static byteATOMID_O4_PRIMEstatic byteATOMID_O5_PRIMEstatic byteATOMID_O5T_TERMINUSstatic byteATOMID_O6static byteATOMID_OP1static byteATOMID_OP2static intATOMID_PHOSPHORUS_ONLY_MASKstatic intATOMID_PROTEIN_MASKstatic byteATOMID_S4static byteATOMID_TERMINATING_OXTstatic intAXES_DEFAULT_FONTSIZEstatic javajs.util.V3axisNXstatic javajs.util.V3axisNYstatic javajs.util.V3axisNZstatic javajs.util.V3axisXstatic javajs.util.V3axisYstatic javajs.util.V3axisZstatic java.lang.StringCACTUS_FILE_TYPESstatic javajs.util.V3centerstatic java.lang.Stringcopyrightstatic java.lang.String[]databasesstatic java.lang.Stringdatestatic shortDEFAULT_BOND_MILLIANGSTROM_RADIUSstatic floatDEFAULT_BOND_RADIUSstatic floatDEFAULT_BOND_TOLERANCEstatic java.lang.StringDEFAULT_FONTFACEstatic java.lang.StringDEFAULT_FONTSTYLEstatic java.lang.StringDEFAULT_HELP_PATHstatic floatDEFAULT_MAX_CONNECT_DISTANCEstatic floatDEFAULT_MIN_BOND_DISTANCEstatic floatDEFAULT_MIN_CONNECT_DISTANCEstatic intDEFAULT_PERCENT_VDW_ATOMstatic floatDEFAULT_STRUT_RADIUSstatic intDNA_MASKstatic intECHO_BOTTOMstatic intECHO_MIDDLEstatic intECHO_TOPstatic intECHO_XYstatic intECHO_XYZprivate static java.lang.String[]echoNamesstatic java.lang.StringEMBEDDED_SCRIPT_TAGstatic floatENC_CALC_MAX_DISTstatic intENV_CALC_MAX_LEVELstatic java.lang.StringEXPORT_DRIVER_LISTstatic intFORMAL_CHARGE_COLIX_REDstatic intGROUPID_AMINO_MAXstatic intGROUPID_ARGININEstatic intGROUPID_ASPARAGINEstatic intGROUPID_ASPARTATEstatic intGROUPID_CYSTEINEstatic intGROUPID_GLUTAMATEstatic intGROUPID_GLUTAMINEstatic intGROUPID_HISTIDINEprivate static intGROUPID_ION_MAXprivate static intGROUPID_ION_MINstatic intGROUPID_LYSINEstatic intGROUPID_NUCLEIC_MAXstatic intGROUPID_PROLINEstatic intGROUPID_SOLVENT_MINstatic intGROUPID_TRYPTOPHANstatic intGROUPID_WATERprivate static java.lang.String[]hAlignNamesstatic java.lang.StringIMAGE_OR_SCENEstatic java.lang.StringIMAGE_TYPESstatic java.lang.StringJPEG_EXTENSIONSstatic intJSV_CLOSEstatic intJSV_NOTstatic intJSV_SELECTstatic intJSV_SEND_C13SIMULATEstatic intJSV_SEND_H1SIMULATEstatic intJSV_SEND_JDXMOLstatic intJSV_SETPEAKSstatic intJSV_STRUCTUREprivate static intLABEL_CENTEREDstatic intLABEL_DEFAULT_FONTSIZEstatic intLABEL_DEFAULT_OFFSETstatic intLABEL_DEFAULT_X_OFFSETstatic intLABEL_DEFAULT_Y_OFFSETprivate static intLABEL_EXPLICITstatic intLABEL_FLAGSprivate static intLABEL_FLAGX_OFFSET_SHIFTprivate static intLABEL_FLAGY_OFFSET_SHIFTstatic intLABEL_MAXIMUM_FONTSIZEstatic intLABEL_MINIMUM_FONTSIZEprivate static intLABEL_OFFSET_MASKstatic intLABEL_OFFSET_MAXstatic intLABEL_POINTER_BACKGROUNDprivate static intLABEL_POINTER_FLAGSstatic intLABEL_POINTER_NONEstatic intLABEL_POINTER_ONprivate static intLABEL_ZPOS_FLAGSstatic intLABEL_ZPOS_FRONTstatic intLABEL_ZPOS_GROUPstatic java.lang.StringLOAD_ATOM_DATA_TYPESstatic java.lang.String[]macrosstatic shortmadMultipleBondSmallMaximumstatic intMAXIMUM_AUTO_BOND_COUNTstatic intMEASURE_DEFAULT_FONTSIZEstatic intMINIMIZATION_ATOM_MAXstatic floatMINIMIZE_FIXED_RANGEstatic java.lang.StringMODELKIT_ZAP_STRINGstatic java.lang.StringMODELKIT_ZAP_TITLEstatic intMOUSE_NONEstatic byteMULTIBOND_ALWAYSstatic byteMULTIBOND_NEVERstatic byteMULTIBOND_NOTSMALLstatic byteMULTIBOND_WIREFRAMEstatic intNBO_CONFIGstatic intNBO_MODELstatic intNBO_RUNstatic intNBO_SEARCHstatic intNBO_VIEWstatic java.lang.StringNOTE_SCRIPT_FILEstatic booleanofficialReleasestatic intPARTIAL_CHARGE_COLIX_REDstatic intPARTIAL_CHARGE_RANGE_SIZEstatic java.lang.StringPDB_ANNOTATIONSstatic java.lang.String[]predefinedStaticstatic java.lang.String[]predefinedVariablestatic intPURINE_MASKstatic intPYRIMIDINE_MASKstatic floatradiansPerDegreestatic java.lang.StringREADER_NOT_FOUNDstatic java.lang.StringREPAINT_IGNOREstatic intRNA_MASKstatic java.lang.StringSCRIPT_COMPLETEDstatic java.lang.StringSCRIPT_EDITOR_IGNOREstatic intSHAPE_AXESstatic intSHAPE_BACKBONEstatic intSHAPE_BALLSstatic intSHAPE_BBCAGEstatic intSHAPE_CARTOONstatic intSHAPE_CGOstatic intSHAPE_CONTACTstatic intSHAPE_DIPOLESstatic intSHAPE_DOTSstatic intSHAPE_DRAWstatic intSHAPE_ECHOstatic intSHAPE_ELLIPSOIDSstatic intSHAPE_FRANKstatic intSHAPE_GEOSURFACEstatic intSHAPE_HALOSstatic intSHAPE_HOVERstatic intSHAPE_HSTICKSstatic intSHAPE_ISOSURFACEstatic intSHAPE_LABELSprivate static intSHAPE_LAST_ATOM_VIS_FLAGstatic intSHAPE_LCAOCARTOONstatic intSHAPE_MAXstatic intSHAPE_MAX_HAS_IDstatic intSHAPE_MAX_HAS_SETVISstatic intSHAPE_MAX_MESH_COLLECTIONstatic intSHAPE_MAX_SECONDARYstatic intSHAPE_MAX_SIZE_ZERO_ON_RESTRICTstatic intSHAPE_MAX_SPECIALstatic intSHAPE_MAX_SURFACEstatic intSHAPE_MEASURESstatic intSHAPE_MESHRIBBONstatic intSHAPE_MIN_HAS_IDstatic intSHAPE_MIN_HAS_SETVISstatic intSHAPE_MIN_SECONDARYstatic intSHAPE_MIN_SPECIALstatic intSHAPE_MIN_SURFACEstatic intSHAPE_MOstatic intSHAPE_NBOstatic intSHAPE_PLOT3Dstatic intSHAPE_PMESHstatic intSHAPE_POLYHEDRAstatic intSHAPE_RIBBONSstatic intSHAPE_ROCKETSstatic intSHAPE_SSSTICKSstatic intSHAPE_STARSstatic intSHAPE_STICKSstatic intSHAPE_STRANDSstatic intSHAPE_STRUTSstatic intSHAPE_TRACEstatic intSHAPE_UCCAGEstatic intSHAPE_VECTORSstatic java.lang.String[]shapeClassBasesstatic intSMILES_AROMATIC_DEFINEDAROMATIC_DEFINED draws all aromatic bonds from connection definitions It is deprecated, because a=a will set it by itself.static intSMILES_AROMATIC_DOUBLEAROMATIC_DOUBLE allows a distinction between single and double, as for example is necessary to distinguish between n=cNH2 and ncNH2 (necessary for MMFF94 atom typing)static intSMILES_AROMATIC_MMFF94AROMATIC_MMFF94 also raises the strictness level to force all 6- and 7-membered rings to have exactly three double bonds.static intSMILES_AROMATIC_PLANARAROMATIC_PLANAR only invokes planarity (Jmol default through 14.5)static intSMILES_AROMATIC_STRICTAROMATIC_STRICT enforces Hueckel 4+2 rule, not allowing acyclic double bondsstatic intSMILES_FIRST_MATCH_ONLYstatic intSMILES_GEN_ATOM_COMMENTstatic intSMILES_GEN_BIOstatic intSMILES_GEN_BIO_ALLOW_UNMATCHED_RINGSstatic intSMILES_GEN_BIO_COMMENTstatic intSMILES_GEN_BIO_COV_CROSSLINKstatic intSMILES_GEN_BIO_HH_CROSSLINKstatic intSMILES_GEN_BIO_NOCOMMENTSstatic intSMILES_GEN_EXPLICIT_Hstatic intSMILES_GEN_POLYHEDRALstatic intSMILES_GEN_TOPOLOGYstatic intSMILES_GROUP_BY_MODELstatic intSMILES_IGNORE_ATOM_CLASSstatic intSMILES_IGNORE_STEREOCHEMISTRYstatic intSMILES_INVERT_STEREOCHEMISTRYstatic intSMILES_NO_AROMATICstatic intSMILES_TYPE_OPENSMARTSstatic intSMILES_TYPE_OPENSMILESstatic intSMILES_TYPE_SMARTSstatic intSMILES_TYPE_SMILESstatic java.lang.StringSTATE_VERSION_STAMPstatic intTEXT_ALIGN_CENTERprivate static intTEXT_ALIGN_FLAGSstatic intTEXT_ALIGN_LEFTstatic intTEXT_ALIGN_NONEstatic intTEXT_ALIGN_RIGHTprivate static intTEXT_ALIGN_SHIFTstatic javajs.util.V3[]unitAxisVectorsstatic intUNITID_ATOMstatic intUNITID_INSCODEstatic intUNITID_MODELstatic intUNITID_RESIDUEstatic intUNITID_TRIMstatic java.lang.Stringversionstatic intversionIntstatic intVIS_BACKBONE_FLAGstatic intVIS_BALLS_FLAGstatic intVIS_BOND_FLAGstatic intVIS_CARTOON_FLAGstatic intVIS_LABEL_FLAGstatic intXY_ZTOPstatic java.lang.StringZAP_TITLE
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Constructor Summary
Constructors Constructor Description JC()
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Method Summary
All Methods Static Methods Concrete Methods Modifier and Type Method Description static java.lang.StringembedScript(java.lang.String s)static java.lang.StringfixProtocol(java.lang.String name)Check for databases that have changed from http:// to https:// over time.static intgetAlignment(int offset)static java.lang.StringgetEchoName(int type)static java.lang.StringgetHorizAlignmentName(int align)static java.lang.StringgetMacro(java.lang.String key)static java.lang.StringgetMacroList()static intgetOffset(int xOffset, int yOffset, boolean isAbsolute)Construct an 32-bit integer packed with 10-byte x and y offsets (-500 to 500) along with flags to indicate if exact and, if not, a flag to indicate that the 0 in x or y indicates "centered".static intgetPointer(int offset)static java.lang.StringgetPointerName(int pointer)static intgetServiceCommand(java.lang.String script)static java.lang.StringgetShapeClassName(int shapeID, boolean isRenderer)static intgetShapeVisibilityFlag(int shapeID)static intgetUnitIDFlags(java.lang.String type)Get a unitID typestatic intgetXOffset(int offset)X offset in pixels.static intgetYOffset(int offset)Y offset in pixels; negative of this is the actual screen offsetstatic booleanisOffsetAbsolute(int offset)static booleanisSmilesCanonical(java.lang.String options)static intsetHorizAlignment(int offset, int hAlign)static intsetPointer(int offset, int pointer)static intsetZPosition(int offset, int pos)static intshapeTokenIndex(int tok)
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Field Detail
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PDB_ANNOTATIONS
public static final java.lang.String PDB_ANNOTATIONS
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- Constant Field Values
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CACTUS_FILE_TYPES
public static final java.lang.String CACTUS_FILE_TYPES
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- Constant Field Values
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databases
public static java.lang.String[] databases
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macros
public static java.lang.String[] macros
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copyright
public static final java.lang.String copyright
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- Constant Field Values
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version
public static final java.lang.String version
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date
public static final java.lang.String date
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versionInt
public static final int versionInt
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officialRelease
public static final boolean officialRelease
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- Constant Field Values
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DEFAULT_HELP_PATH
public static final java.lang.String DEFAULT_HELP_PATH
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- Constant Field Values
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STATE_VERSION_STAMP
public static final java.lang.String STATE_VERSION_STAMP
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- Constant Field Values
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EMBEDDED_SCRIPT_TAG
public static final java.lang.String EMBEDDED_SCRIPT_TAG
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- Constant Field Values
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NOTE_SCRIPT_FILE
public static final java.lang.String NOTE_SCRIPT_FILE
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- Constant Field Values
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SCRIPT_EDITOR_IGNORE
public static final java.lang.String SCRIPT_EDITOR_IGNORE
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- Constant Field Values
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REPAINT_IGNORE
public static final java.lang.String REPAINT_IGNORE
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- Constant Field Values
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LOAD_ATOM_DATA_TYPES
public static final java.lang.String LOAD_ATOM_DATA_TYPES
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- Constant Field Values
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radiansPerDegree
public static final float radiansPerDegree
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- Constant Field Values
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allowedQuaternionFrames
public static final java.lang.String allowedQuaternionFrames
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- Constant Field Values
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EXPORT_DRIVER_LIST
public static final java.lang.String EXPORT_DRIVER_LIST
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- Constant Field Values
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center
public static final javajs.util.V3 center
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axisX
public static final javajs.util.V3 axisX
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axisY
public static final javajs.util.V3 axisY
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axisZ
public static final javajs.util.V3 axisZ
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axisNX
public static final javajs.util.V3 axisNX
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axisNY
public static final javajs.util.V3 axisNY
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axisNZ
public static final javajs.util.V3 axisNZ
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unitAxisVectors
public static final javajs.util.V3[] unitAxisVectors
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XY_ZTOP
public static final int XY_ZTOP
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- Constant Field Values
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DEFAULT_PERCENT_VDW_ATOM
public static final int DEFAULT_PERCENT_VDW_ATOM
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- Constant Field Values
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DEFAULT_BOND_RADIUS
public static final float DEFAULT_BOND_RADIUS
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- Constant Field Values
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DEFAULT_BOND_MILLIANGSTROM_RADIUS
public static final short DEFAULT_BOND_MILLIANGSTROM_RADIUS
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- Constant Field Values
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DEFAULT_STRUT_RADIUS
public static final float DEFAULT_STRUT_RADIUS
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- Constant Field Values
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DEFAULT_BOND_TOLERANCE
public static final float DEFAULT_BOND_TOLERANCE
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- Constant Field Values
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DEFAULT_MIN_BOND_DISTANCE
public static final float DEFAULT_MIN_BOND_DISTANCE
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- Constant Field Values
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DEFAULT_MAX_CONNECT_DISTANCE
public static final float DEFAULT_MAX_CONNECT_DISTANCE
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- Constant Field Values
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DEFAULT_MIN_CONNECT_DISTANCE
public static final float DEFAULT_MIN_CONNECT_DISTANCE
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- Constant Field Values
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MINIMIZATION_ATOM_MAX
public static final int MINIMIZATION_ATOM_MAX
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- Constant Field Values
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MINIMIZE_FIXED_RANGE
public static final float MINIMIZE_FIXED_RANGE
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- Constant Field Values
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ENC_CALC_MAX_DIST
public static final float ENC_CALC_MAX_DIST
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- Constant Field Values
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ENV_CALC_MAX_LEVEL
public static final int ENV_CALC_MAX_LEVEL
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- Constant Field Values
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MOUSE_NONE
public static final int MOUSE_NONE
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- Constant Field Values
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MULTIBOND_NEVER
public static final byte MULTIBOND_NEVER
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- Constant Field Values
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MULTIBOND_WIREFRAME
public static final byte MULTIBOND_WIREFRAME
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- Constant Field Values
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MULTIBOND_NOTSMALL
public static final byte MULTIBOND_NOTSMALL
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- Constant Field Values
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MULTIBOND_ALWAYS
public static final byte MULTIBOND_ALWAYS
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- Constant Field Values
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MAXIMUM_AUTO_BOND_COUNT
public static final int MAXIMUM_AUTO_BOND_COUNT
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- Constant Field Values
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madMultipleBondSmallMaximum
public static final short madMultipleBondSmallMaximum
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- Constant Field Values
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ANGSTROMS_PER_BOHR
public static final float ANGSTROMS_PER_BOHR
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- Constant Field Values
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altArgbsCpk
public static final int[] altArgbsCpk
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argbsFormalCharge
public static final int[] argbsFormalCharge
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argbsRwbScale
public static final int[] argbsRwbScale
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FORMAL_CHARGE_COLIX_RED
public static final int FORMAL_CHARGE_COLIX_RED
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PARTIAL_CHARGE_COLIX_RED
public static final int PARTIAL_CHARGE_COLIX_RED
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PARTIAL_CHARGE_RANGE_SIZE
public static final int PARTIAL_CHARGE_RANGE_SIZE
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argbsRoygbScale
public static final int[] argbsRoygbScale
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argbsIsosurfacePositive
public static final int argbsIsosurfacePositive
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- Constant Field Values
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argbsIsosurfaceNegative
public static final int argbsIsosurfaceNegative
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- Constant Field Values
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ATOMID_AMINO_NITROGEN
public static final byte ATOMID_AMINO_NITROGEN
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- Constant Field Values
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ATOMID_ALPHA_CARBON
public static final byte ATOMID_ALPHA_CARBON
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- Constant Field Values
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ATOMID_CARBONYL_CARBON
public static final byte ATOMID_CARBONYL_CARBON
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- Constant Field Values
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ATOMID_CARBONYL_OXYGEN
public static final byte ATOMID_CARBONYL_OXYGEN
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- Constant Field Values
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ATOMID_O1
public static final byte ATOMID_O1
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- Constant Field Values
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ATOMID_ALPHA_ONLY_MASK
public static final int ATOMID_ALPHA_ONLY_MASK
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- Constant Field Values
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ATOMID_PROTEIN_MASK
public static final int ATOMID_PROTEIN_MASK
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- Constant Field Values
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ATOMID_O5_PRIME
public static final byte ATOMID_O5_PRIME
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- Constant Field Values
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ATOMID_C5_PRIME
public static final byte ATOMID_C5_PRIME
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- Constant Field Values
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ATOMID_C4_PRIME
public static final byte ATOMID_C4_PRIME
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- Constant Field Values
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ATOMID_C3_PRIME
public static final byte ATOMID_C3_PRIME
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- Constant Field Values
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ATOMID_O3_PRIME
public static final byte ATOMID_O3_PRIME
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- Constant Field Values
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ATOMID_C2_PRIME
public static final byte ATOMID_C2_PRIME
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- Constant Field Values
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ATOMID_C1_PRIME
public static final byte ATOMID_C1_PRIME
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- Constant Field Values
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ATOMID_O4_PRIME
public static final byte ATOMID_O4_PRIME
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- Constant Field Values
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ATOMID_NUCLEIC_MASK
public static final int ATOMID_NUCLEIC_MASK
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- Constant Field Values
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ATOMID_NUCLEIC_PHOSPHORUS
public static final byte ATOMID_NUCLEIC_PHOSPHORUS
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- Constant Field Values
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ATOMID_PHOSPHORUS_ONLY_MASK
public static final int ATOMID_PHOSPHORUS_ONLY_MASK
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- Constant Field Values
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ATOMID_DISTINGUISHING_ATOM_MAX
public static final int ATOMID_DISTINGUISHING_ATOM_MAX
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- Constant Field Values
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ATOMID_CARBONYL_OD1
public static final byte ATOMID_CARBONYL_OD1
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- Constant Field Values
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ATOMID_CARBONYL_OD2
public static final byte ATOMID_CARBONYL_OD2
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- Constant Field Values
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ATOMID_CARBONYL_OE1
public static final byte ATOMID_CARBONYL_OE1
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- Constant Field Values
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ATOMID_CARBONYL_OE2
public static final byte ATOMID_CARBONYL_OE2
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- Constant Field Values
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ATOMID_N1
public static final byte ATOMID_N1
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- Constant Field Values
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ATOMID_C2
public static final byte ATOMID_C2
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- Constant Field Values
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ATOMID_N3
public static final byte ATOMID_N3
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- Constant Field Values
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ATOMID_C4
public static final byte ATOMID_C4
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- Constant Field Values
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ATOMID_C5
public static final byte ATOMID_C5
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- Constant Field Values
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ATOMID_C6
public static final byte ATOMID_C6
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- Constant Field Values
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ATOMID_O2
public static final byte ATOMID_O2
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- Constant Field Values
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ATOMID_N7
public static final byte ATOMID_N7
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- Constant Field Values
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ATOMID_C8
public static final byte ATOMID_C8
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- Constant Field Values
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ATOMID_N9
public static final byte ATOMID_N9
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- Constant Field Values
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ATOMID_N4
public static final byte ATOMID_N4
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- Constant Field Values
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ATOMID_N2
public static final byte ATOMID_N2
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- Constant Field Values
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ATOMID_N6
public static final byte ATOMID_N6
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- Constant Field Values
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ATOMID_C5M
public static final byte ATOMID_C5M
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- Constant Field Values
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ATOMID_O6
public static final byte ATOMID_O6
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- Constant Field Values
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ATOMID_O4
public static final byte ATOMID_O4
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- Constant Field Values
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ATOMID_S4
public static final byte ATOMID_S4
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- Constant Field Values
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ATOMID_C7
public static final byte ATOMID_C7
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- Constant Field Values
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ATOMID_TERMINATING_OXT
public static final byte ATOMID_TERMINATING_OXT
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- Constant Field Values
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ATOMID_H5T_TERMINUS
public static final byte ATOMID_H5T_TERMINUS
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- Constant Field Values
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ATOMID_O5T_TERMINUS
public static final byte ATOMID_O5T_TERMINUS
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- Constant Field Values
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ATOMID_O1P
public static final byte ATOMID_O1P
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- Constant Field Values
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ATOMID_OP1
public static final byte ATOMID_OP1
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- Constant Field Values
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ATOMID_O2P
public static final byte ATOMID_O2P
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- Constant Field Values
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ATOMID_OP2
public static final byte ATOMID_OP2
- See Also:
- Constant Field Values
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ATOMID_O2_PRIME
public static final byte ATOMID_O2_PRIME
- See Also:
- Constant Field Values
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ATOMID_H3T_TERMINUS
public static final byte ATOMID_H3T_TERMINUS
- See Also:
- Constant Field Values
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ATOMID_HO3_PRIME
public static final byte ATOMID_HO3_PRIME
- See Also:
- Constant Field Values
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ATOMID_HO5_PRIME
public static final byte ATOMID_HO5_PRIME
- See Also:
- Constant Field Values
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PURINE_MASK
public static final int PURINE_MASK
- See Also:
- Constant Field Values
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PYRIMIDINE_MASK
public static final int PYRIMIDINE_MASK
- See Also:
- Constant Field Values
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DNA_MASK
public static final int DNA_MASK
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- Constant Field Values
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RNA_MASK
public static final int RNA_MASK
- See Also:
- Constant Field Values
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GROUPID_ARGININE
public static final int GROUPID_ARGININE
- See Also:
- Constant Field Values
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GROUPID_ASPARAGINE
public static final int GROUPID_ASPARAGINE
- See Also:
- Constant Field Values
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GROUPID_ASPARTATE
public static final int GROUPID_ASPARTATE
- See Also:
- Constant Field Values
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GROUPID_CYSTEINE
public static final int GROUPID_CYSTEINE
- See Also:
- Constant Field Values
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GROUPID_GLUTAMINE
public static final int GROUPID_GLUTAMINE
- See Also:
- Constant Field Values
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GROUPID_GLUTAMATE
public static final int GROUPID_GLUTAMATE
- See Also:
- Constant Field Values
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GROUPID_HISTIDINE
public static final int GROUPID_HISTIDINE
- See Also:
- Constant Field Values
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GROUPID_LYSINE
public static final int GROUPID_LYSINE
- See Also:
- Constant Field Values
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GROUPID_PROLINE
public static final int GROUPID_PROLINE
- See Also:
- Constant Field Values
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GROUPID_TRYPTOPHAN
public static final int GROUPID_TRYPTOPHAN
- See Also:
- Constant Field Values
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GROUPID_AMINO_MAX
public static final int GROUPID_AMINO_MAX
- See Also:
- Constant Field Values
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GROUPID_NUCLEIC_MAX
public static final int GROUPID_NUCLEIC_MAX
- See Also:
- Constant Field Values
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GROUPID_WATER
public static final int GROUPID_WATER
- See Also:
- Constant Field Values
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GROUPID_SOLVENT_MIN
public static final int GROUPID_SOLVENT_MIN
- See Also:
- Constant Field Values
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GROUPID_ION_MIN
private static final int GROUPID_ION_MIN
- See Also:
- Constant Field Values
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GROUPID_ION_MAX
private static final int GROUPID_ION_MAX
- See Also:
- Constant Field Values
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predefinedVariable
public static java.lang.String[] predefinedVariable
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predefinedStatic
public static java.lang.String[] predefinedStatic
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MODELKIT_ZAP_STRING
public static final java.lang.String MODELKIT_ZAP_STRING
- See Also:
- Constant Field Values
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MODELKIT_ZAP_TITLE
public static final java.lang.String MODELKIT_ZAP_TITLE
- See Also:
- Constant Field Values
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ZAP_TITLE
public static final java.lang.String ZAP_TITLE
- See Also:
- Constant Field Values
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ADD_HYDROGEN_TITLE
public static final java.lang.String ADD_HYDROGEN_TITLE
- See Also:
- Constant Field Values
-
DEFAULT_FONTFACE
public static final java.lang.String DEFAULT_FONTFACE
- See Also:
- Constant Field Values
-
DEFAULT_FONTSTYLE
public static final java.lang.String DEFAULT_FONTSTYLE
- See Also:
- Constant Field Values
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MEASURE_DEFAULT_FONTSIZE
public static final int MEASURE_DEFAULT_FONTSIZE
- See Also:
- Constant Field Values
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AXES_DEFAULT_FONTSIZE
public static final int AXES_DEFAULT_FONTSIZE
- See Also:
- Constant Field Values
-
SHAPE_BALLS
public static final int SHAPE_BALLS
- See Also:
- Constant Field Values
-
SHAPE_STICKS
public static final int SHAPE_STICKS
- See Also:
- Constant Field Values
-
SHAPE_HSTICKS
public static final int SHAPE_HSTICKS
- See Also:
- Constant Field Values
-
SHAPE_SSSTICKS
public static final int SHAPE_SSSTICKS
- See Also:
- Constant Field Values
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SHAPE_STRUTS
public static final int SHAPE_STRUTS
- See Also:
- Constant Field Values
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SHAPE_LABELS
public static final int SHAPE_LABELS
- See Also:
- Constant Field Values
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SHAPE_MEASURES
public static final int SHAPE_MEASURES
- See Also:
- Constant Field Values
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SHAPE_STARS
public static final int SHAPE_STARS
- See Also:
- Constant Field Values
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SHAPE_MIN_HAS_SETVIS
public static final int SHAPE_MIN_HAS_SETVIS
- See Also:
- Constant Field Values
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SHAPE_HALOS
public static final int SHAPE_HALOS
- See Also:
- Constant Field Values
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SHAPE_MIN_SECONDARY
public static final int SHAPE_MIN_SECONDARY
- See Also:
- Constant Field Values
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SHAPE_BACKBONE
public static final int SHAPE_BACKBONE
- See Also:
- Constant Field Values
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SHAPE_TRACE
public static final int SHAPE_TRACE
- See Also:
- Constant Field Values
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SHAPE_CARTOON
public static final int SHAPE_CARTOON
- See Also:
- Constant Field Values
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SHAPE_STRANDS
public static final int SHAPE_STRANDS
- See Also:
- Constant Field Values
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SHAPE_MESHRIBBON
public static final int SHAPE_MESHRIBBON
- See Also:
- Constant Field Values
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SHAPE_RIBBONS
public static final int SHAPE_RIBBONS
- See Also:
- Constant Field Values
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SHAPE_ROCKETS
public static final int SHAPE_ROCKETS
- See Also:
- Constant Field Values
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SHAPE_MAX_SECONDARY
public static final int SHAPE_MAX_SECONDARY
- See Also:
- Constant Field Values
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SHAPE_MIN_SPECIAL
public static final int SHAPE_MIN_SPECIAL
- See Also:
- Constant Field Values
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SHAPE_DOTS
public static final int SHAPE_DOTS
- See Also:
- Constant Field Values
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SHAPE_DIPOLES
public static final int SHAPE_DIPOLES
- See Also:
- Constant Field Values
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SHAPE_VECTORS
public static final int SHAPE_VECTORS
- See Also:
- Constant Field Values
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SHAPE_GEOSURFACE
public static final int SHAPE_GEOSURFACE
- See Also:
- Constant Field Values
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SHAPE_ELLIPSOIDS
public static final int SHAPE_ELLIPSOIDS
- See Also:
- Constant Field Values
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SHAPE_MAX_SIZE_ZERO_ON_RESTRICT
public static final int SHAPE_MAX_SIZE_ZERO_ON_RESTRICT
- See Also:
- Constant Field Values
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SHAPE_MIN_HAS_ID
public static final int SHAPE_MIN_HAS_ID
- See Also:
- Constant Field Values
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SHAPE_POLYHEDRA
public static final int SHAPE_POLYHEDRA
- See Also:
- Constant Field Values
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SHAPE_DRAW
public static final int SHAPE_DRAW
- See Also:
- Constant Field Values
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SHAPE_MAX_SPECIAL
public static final int SHAPE_MAX_SPECIAL
- See Also:
- Constant Field Values
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SHAPE_CGO
public static final int SHAPE_CGO
- See Also:
- Constant Field Values
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SHAPE_MIN_SURFACE
public static final int SHAPE_MIN_SURFACE
- See Also:
- Constant Field Values
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SHAPE_ISOSURFACE
public static final int SHAPE_ISOSURFACE
- See Also:
- Constant Field Values
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SHAPE_CONTACT
public static final int SHAPE_CONTACT
- See Also:
- Constant Field Values
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SHAPE_LCAOCARTOON
public static final int SHAPE_LCAOCARTOON
- See Also:
- Constant Field Values
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SHAPE_LAST_ATOM_VIS_FLAG
private static final int SHAPE_LAST_ATOM_VIS_FLAG
- See Also:
- Constant Field Values
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SHAPE_MO
public static final int SHAPE_MO
- See Also:
- Constant Field Values
-
SHAPE_NBO
public static final int SHAPE_NBO
- See Also:
- Constant Field Values
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SHAPE_PMESH
public static final int SHAPE_PMESH
- See Also:
- Constant Field Values
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SHAPE_PLOT3D
public static final int SHAPE_PLOT3D
- See Also:
- Constant Field Values
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SHAPE_MAX_SURFACE
public static final int SHAPE_MAX_SURFACE
- See Also:
- Constant Field Values
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SHAPE_MAX_MESH_COLLECTION
public static final int SHAPE_MAX_MESH_COLLECTION
- See Also:
- Constant Field Values
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SHAPE_ECHO
public static final int SHAPE_ECHO
- See Also:
- Constant Field Values
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SHAPE_MAX_HAS_ID
public static final int SHAPE_MAX_HAS_ID
- See Also:
- Constant Field Values
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SHAPE_BBCAGE
public static final int SHAPE_BBCAGE
- See Also:
- Constant Field Values
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SHAPE_MAX_HAS_SETVIS
public static final int SHAPE_MAX_HAS_SETVIS
- See Also:
- Constant Field Values
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SHAPE_UCCAGE
public static final int SHAPE_UCCAGE
- See Also:
- Constant Field Values
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SHAPE_AXES
public static final int SHAPE_AXES
- See Also:
- Constant Field Values
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SHAPE_HOVER
public static final int SHAPE_HOVER
- See Also:
- Constant Field Values
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SHAPE_FRANK
public static final int SHAPE_FRANK
- See Also:
- Constant Field Values
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SHAPE_MAX
public static final int SHAPE_MAX
- See Also:
- Constant Field Values
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VIS_BOND_FLAG
public static final int VIS_BOND_FLAG
- See Also:
- Constant Field Values
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VIS_BALLS_FLAG
public static final int VIS_BALLS_FLAG
- See Also:
- Constant Field Values
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VIS_LABEL_FLAG
public static final int VIS_LABEL_FLAG
- See Also:
- Constant Field Values
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VIS_BACKBONE_FLAG
public static final int VIS_BACKBONE_FLAG
- See Also:
- Constant Field Values
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VIS_CARTOON_FLAG
public static final int VIS_CARTOON_FLAG
- See Also:
- Constant Field Values
-
ALPHA_CARBON_VISIBILITY_FLAG
public static final int ALPHA_CARBON_VISIBILITY_FLAG
- See Also:
- Constant Field Values
-
shapeClassBases
public static final java.lang.String[] shapeClassBases
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SCRIPT_COMPLETED
public static final java.lang.String SCRIPT_COMPLETED
- See Also:
- Constant Field Values
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JPEG_EXTENSIONS
public static final java.lang.String JPEG_EXTENSIONS
- See Also:
- Constant Field Values
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IMAGE_TYPES
public static final java.lang.String IMAGE_TYPES
- See Also:
- Constant Field Values
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IMAGE_OR_SCENE
public static final java.lang.String IMAGE_OR_SCENE
- See Also:
- Constant Field Values
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LABEL_MINIMUM_FONTSIZE
public static final int LABEL_MINIMUM_FONTSIZE
- See Also:
- Constant Field Values
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LABEL_MAXIMUM_FONTSIZE
public static final int LABEL_MAXIMUM_FONTSIZE
- See Also:
- Constant Field Values
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LABEL_DEFAULT_FONTSIZE
public static final int LABEL_DEFAULT_FONTSIZE
- See Also:
- Constant Field Values
-
LABEL_DEFAULT_X_OFFSET
public static final int LABEL_DEFAULT_X_OFFSET
- See Also:
- Constant Field Values
-
LABEL_DEFAULT_Y_OFFSET
public static final int LABEL_DEFAULT_Y_OFFSET
- See Also:
- Constant Field Values
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LABEL_OFFSET_MAX
public static final int LABEL_OFFSET_MAX
- See Also:
- Constant Field Values
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LABEL_OFFSET_MASK
private static final int LABEL_OFFSET_MASK
- See Also:
- Constant Field Values
-
LABEL_FLAGY_OFFSET_SHIFT
private static final int LABEL_FLAGY_OFFSET_SHIFT
- See Also:
- Constant Field Values
-
LABEL_FLAGX_OFFSET_SHIFT
private static final int LABEL_FLAGX_OFFSET_SHIFT
- See Also:
- Constant Field Values
-
LABEL_FLAGS
public static final int LABEL_FLAGS
- See Also:
- Constant Field Values
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LABEL_POINTER_FLAGS
private static final int LABEL_POINTER_FLAGS
- See Also:
- Constant Field Values
-
LABEL_POINTER_NONE
public static final int LABEL_POINTER_NONE
- See Also:
- Constant Field Values
-
LABEL_POINTER_ON
public static final int LABEL_POINTER_ON
- See Also:
- Constant Field Values
-
LABEL_POINTER_BACKGROUND
public static final int LABEL_POINTER_BACKGROUND
- See Also:
- Constant Field Values
-
TEXT_ALIGN_SHIFT
private static final int TEXT_ALIGN_SHIFT
- See Also:
- Constant Field Values
-
TEXT_ALIGN_FLAGS
private static final int TEXT_ALIGN_FLAGS
- See Also:
- Constant Field Values
-
TEXT_ALIGN_NONE
public static final int TEXT_ALIGN_NONE
- See Also:
- Constant Field Values
-
TEXT_ALIGN_LEFT
public static final int TEXT_ALIGN_LEFT
- See Also:
- Constant Field Values
-
TEXT_ALIGN_CENTER
public static final int TEXT_ALIGN_CENTER
- See Also:
- Constant Field Values
-
TEXT_ALIGN_RIGHT
public static final int TEXT_ALIGN_RIGHT
- See Also:
- Constant Field Values
-
LABEL_ZPOS_FLAGS
private static final int LABEL_ZPOS_FLAGS
- See Also:
- Constant Field Values
-
LABEL_ZPOS_GROUP
public static final int LABEL_ZPOS_GROUP
- See Also:
- Constant Field Values
-
LABEL_ZPOS_FRONT
public static final int LABEL_ZPOS_FRONT
- See Also:
- Constant Field Values
-
LABEL_EXPLICIT
private static final int LABEL_EXPLICIT
- See Also:
- Constant Field Values
-
LABEL_CENTERED
private static final int LABEL_CENTERED
- See Also:
- Constant Field Values
-
LABEL_DEFAULT_OFFSET
public static int LABEL_DEFAULT_OFFSET
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ECHO_TOP
public static final int ECHO_TOP
- See Also:
- Constant Field Values
-
ECHO_BOTTOM
public static final int ECHO_BOTTOM
- See Also:
- Constant Field Values
-
ECHO_MIDDLE
public static final int ECHO_MIDDLE
- See Also:
- Constant Field Values
-
ECHO_XY
public static final int ECHO_XY
- See Also:
- Constant Field Values
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ECHO_XYZ
public static final int ECHO_XYZ
- See Also:
- Constant Field Values
-
echoNames
private static final java.lang.String[] echoNames
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hAlignNames
private static final java.lang.String[] hAlignNames
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SMILES_TYPE_SMILES
public static final int SMILES_TYPE_SMILES
- See Also:
- Constant Field Values
-
SMILES_TYPE_SMARTS
public static final int SMILES_TYPE_SMARTS
- See Also:
- Constant Field Values
-
SMILES_TYPE_OPENSMILES
public static final int SMILES_TYPE_OPENSMILES
- See Also:
- Constant Field Values
-
SMILES_TYPE_OPENSMARTS
public static final int SMILES_TYPE_OPENSMARTS
- See Also:
- Constant Field Values
-
SMILES_FIRST_MATCH_ONLY
public static final int SMILES_FIRST_MATCH_ONLY
- See Also:
- Constant Field Values
-
SMILES_NO_AROMATIC
public static final int SMILES_NO_AROMATIC
- See Also:
- Constant Field Values
-
SMILES_IGNORE_STEREOCHEMISTRY
public static final int SMILES_IGNORE_STEREOCHEMISTRY
- See Also:
- Constant Field Values
-
SMILES_INVERT_STEREOCHEMISTRY
public static final int SMILES_INVERT_STEREOCHEMISTRY
- See Also:
- Constant Field Values
-
SMILES_AROMATIC_DEFINED
public static final int SMILES_AROMATIC_DEFINED
AROMATIC_DEFINED draws all aromatic bonds from connection definitions It is deprecated, because a=a will set it by itself.- See Also:
- Constant Field Values
-
SMILES_AROMATIC_STRICT
public static final int SMILES_AROMATIC_STRICT
AROMATIC_STRICT enforces Hueckel 4+2 rule, not allowing acyclic double bonds- See Also:
- Constant Field Values
-
SMILES_AROMATIC_DOUBLE
public static final int SMILES_AROMATIC_DOUBLE
AROMATIC_DOUBLE allows a distinction between single and double, as for example is necessary to distinguish between n=cNH2 and ncNH2 (necessary for MMFF94 atom typing)- See Also:
- Constant Field Values
-
SMILES_AROMATIC_MMFF94
public static final int SMILES_AROMATIC_MMFF94
AROMATIC_MMFF94 also raises the strictness level to force all 6- and 7-membered rings to have exactly three double bonds.- See Also:
- Constant Field Values
-
SMILES_AROMATIC_PLANAR
public static final int SMILES_AROMATIC_PLANAR
AROMATIC_PLANAR only invokes planarity (Jmol default through 14.5)- See Also:
- Constant Field Values
-
SMILES_IGNORE_ATOM_CLASS
public static final int SMILES_IGNORE_ATOM_CLASS
- See Also:
- Constant Field Values
-
SMILES_GEN_EXPLICIT_H
public static final int SMILES_GEN_EXPLICIT_H
- See Also:
- Constant Field Values
-
SMILES_GEN_TOPOLOGY
public static final int SMILES_GEN_TOPOLOGY
- See Also:
- Constant Field Values
-
SMILES_GEN_POLYHEDRAL
public static final int SMILES_GEN_POLYHEDRAL
- See Also:
- Constant Field Values
-
SMILES_GEN_ATOM_COMMENT
public static final int SMILES_GEN_ATOM_COMMENT
- See Also:
- Constant Field Values
-
SMILES_GEN_BIO
public static final int SMILES_GEN_BIO
- See Also:
- Constant Field Values
-
SMILES_GEN_BIO_ALLOW_UNMATCHED_RINGS
public static final int SMILES_GEN_BIO_ALLOW_UNMATCHED_RINGS
- See Also:
- Constant Field Values
-
SMILES_GEN_BIO_COV_CROSSLINK
public static final int SMILES_GEN_BIO_COV_CROSSLINK
- See Also:
- Constant Field Values
-
SMILES_GEN_BIO_HH_CROSSLINK
public static final int SMILES_GEN_BIO_HH_CROSSLINK
- See Also:
- Constant Field Values
-
SMILES_GEN_BIO_COMMENT
public static final int SMILES_GEN_BIO_COMMENT
- See Also:
- Constant Field Values
-
SMILES_GEN_BIO_NOCOMMENTS
public static final int SMILES_GEN_BIO_NOCOMMENTS
- See Also:
- Constant Field Values
-
SMILES_GROUP_BY_MODEL
public static final int SMILES_GROUP_BY_MODEL
- See Also:
- Constant Field Values
-
JSV_NOT
public static final int JSV_NOT
- See Also:
- Constant Field Values
-
JSV_SEND_JDXMOL
public static final int JSV_SEND_JDXMOL
- See Also:
- Constant Field Values
-
JSV_SETPEAKS
public static final int JSV_SETPEAKS
- See Also:
- Constant Field Values
-
JSV_SELECT
public static final int JSV_SELECT
- See Also:
- Constant Field Values
-
JSV_STRUCTURE
public static final int JSV_STRUCTURE
- See Also:
- Constant Field Values
-
JSV_SEND_H1SIMULATE
public static final int JSV_SEND_H1SIMULATE
- See Also:
- Constant Field Values
-
JSV_SEND_C13SIMULATE
public static final int JSV_SEND_C13SIMULATE
- See Also:
- Constant Field Values
-
NBO_MODEL
public static final int NBO_MODEL
- See Also:
- Constant Field Values
-
NBO_RUN
public static final int NBO_RUN
- See Also:
- Constant Field Values
-
NBO_VIEW
public static final int NBO_VIEW
- See Also:
- Constant Field Values
-
NBO_SEARCH
public static final int NBO_SEARCH
- See Also:
- Constant Field Values
-
NBO_CONFIG
public static final int NBO_CONFIG
- See Also:
- Constant Field Values
-
JSV_CLOSE
public static final int JSV_CLOSE
- See Also:
- Constant Field Values
-
READER_NOT_FOUND
public static java.lang.String READER_NOT_FOUND
-
UNITID_MODEL
public static final int UNITID_MODEL
- See Also:
- Constant Field Values
-
UNITID_RESIDUE
public static final int UNITID_RESIDUE
- See Also:
- Constant Field Values
-
UNITID_ATOM
public static final int UNITID_ATOM
- See Also:
- Constant Field Values
-
UNITID_INSCODE
public static final int UNITID_INSCODE
- See Also:
- Constant Field Values
-
UNITID_TRIM
public static final int UNITID_TRIM
- See Also:
- Constant Field Values
-
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Method Detail
-
fixProtocol
public static java.lang.String fixProtocol(java.lang.String name)
Check for databases that have changed from http:// to https:// over time. We substitute https here in case this is from an old reference.- Parameters:
name-- Returns:
- https protocol if necessary
-
getMacroList
public static java.lang.String getMacroList()
-
getMacro
public static java.lang.String getMacro(java.lang.String key)
-
embedScript
public static java.lang.String embedScript(java.lang.String s)
-
getShapeVisibilityFlag
public static final int getShapeVisibilityFlag(int shapeID)
-
shapeTokenIndex
public static final int shapeTokenIndex(int tok)
-
getShapeClassName
public static final java.lang.String getShapeClassName(int shapeID, boolean isRenderer)
-
getEchoName
public static java.lang.String getEchoName(int type)
-
setZPosition
public static int setZPosition(int offset, int pos)
-
setPointer
public static int setPointer(int offset, int pointer)
-
getPointer
public static int getPointer(int offset)
-
getPointerName
public static java.lang.String getPointerName(int pointer)
-
isOffsetAbsolute
public static boolean isOffsetAbsolute(int offset)
-
getOffset
public static int getOffset(int xOffset, int yOffset, boolean isAbsolute)Construct an 32-bit integer packed with 10-byte x and y offsets (-500 to 500) along with flags to indicate if exact and, if not, a flag to indicate that the 0 in x or y indicates "centered". The non-exact default offset of [4,4] is represented as 0 so that new array elements do not have to be initialized.- Parameters:
xOffset-yOffset-isAbsolute-- Returns:
- packed offset x and y with positioning flags
-
getXOffset
public static int getXOffset(int offset)
X offset in pixels. negative of this is the actual screen offset- Parameters:
offset- 0 for an offset indicates "not set" and delivers the default offset- Returns:
- screen offset from left
-
getYOffset
public static int getYOffset(int offset)
Y offset in pixels; negative of this is the actual screen offset- Parameters:
offset- 0 for an offset indicates "not set" and delivers the default offset- Returns:
- screen offset from bottom
-
getAlignment
public static int getAlignment(int offset)
-
setHorizAlignment
public static int setHorizAlignment(int offset, int hAlign)
-
getHorizAlignmentName
public static java.lang.String getHorizAlignmentName(int align)
-
isSmilesCanonical
public static boolean isSmilesCanonical(java.lang.String options)
-
getServiceCommand
public static int getServiceCommand(java.lang.String script)
-
getUnitIDFlags
public static int getUnitIDFlags(java.lang.String type)
Get a unitID type- Parameters:
type- -mra (model name, residue, atom, and ins code), -mr (model and residue; no atom) -ra default - or -r just residue -t right-trim- Returns:
- coded type
-
-