| /dports/science/mdynamix/md528/ |
| H A D | setup.f | 1129 JMOL=0
1136 JMOL=JMOL+1
1137 X(JMOL)=0.d0
1138 Y(JMOL)=0.d0
1139 Z(JMOL)=0.d0
1145 JMOL=JMOL+1
1223 JMOL=0
1230 JMOL=JMOL+1
1231 X(JMOL)=0.d0
1232 Y(JMOL)=0.d0
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| H A D | forces.f | 829 JMOL=NNUM(JSP)
946 if(IMOL.eq.JMOL)then
961 if(IMOL.eq.JMOL)then
1033 JMOL=NNUM(JSP)
1157 if(IMOL.eq.JMOL)then
1172 if(IMOL.eq.JMOL)then
1833 JMOL=NNUM(J)
1887 DX=SX(I)-X(JMOL)
1888 DY=SY(I)-Y(JMOL)
1889 DZ=SZ(I)-Z(JMOL)
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| H A D | service.f | 873 JMOL=NNUM(J)
883 if(IMOL.eq.JMOL)then
1011 DO JMOL = 1,NSPEC(ITYP) ! over molecules
1012 I0 = ISADDR(ITYP)+(JMOL-1)*NSITS(ITYP)
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| H A D | mdee.f | 392 JMOL=NNUM(JSP)
394 if(IMOL.ne.JMOL)then
462 JMOL=NNUM(JSP)
464 if(IMOL.ne.JMOL)then
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| /dports/science/mdynamix/md528/tranal/ |
| H A D | rdf.f | 130 JMOL=NNUM(JST)
132 DX=X(IMOL)-X(JMOL)
133 DY=Y(IMOL)-Y(JMOL)
134 DZ=Z(IMOL)-Z(JMOL)
140 DX=SX(IST)-X(JMOL)
141 DY=SY(IST)-Y(JMOL)
142 DZ=SZ(IST)-Z(JMOL)
152 if(IMOL.ne.JMOL)then
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| H A D | restime.f | 99 JMOL=NNUM(JSP)
100 if(IMOL.ne.JMOL)then
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| /dports/biology/jalview/jalview/test/jalview/ext/jmol/ |
| H A D | JmolViewerTest.java | 84 ViewerType.JMOL.name()); in testSingleSeqViewJMol()
103 structureViewer.setViewerType(ViewerType.JMOL); in testSingleSeqViewJMol()
135 ViewerType.JMOL.name()); in testAddStrToSingleSeqViewJMol()
144 structureViewer.setViewerType(ViewerType.JMOL); in testAddStrToSingleSeqViewJMol()
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| /dports/biology/jalview/jalview/src/jalview/gui/ |
| H A D | StructureViewer.java | 59 JMOL, CHIMERA enumConstant
96 ViewerType.JMOL.name()); in getViewerType()
159 if (viewerType.equals(ViewerType.JMOL)) in viewStructures()
300 if (viewerType.equals(ViewerType.JMOL)) in viewStructures()
340 case JMOL: in createView()
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| H A D | AppJmol.java | 710 return ViewerType.JMOL; in getViewerType()
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| H A D | Preferences.java | 344 Cache.getDefault(STRUCTURE_DISPLAY, ViewerType.JMOL.name())); in Preferences()
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/pb_s_am/pb_shared/src/ |
| H A D | Constants.cpp | 115 else if (units == "jmol") units_ = JMOL; in set_units()
122 else if (units_ == JMOL) return "jmol"; in get_units()
132 else if (units_ == JMOL) conversion_factor = convert_int_to_jmol(1.0); in get_conv_factor()
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| H A D | Constants.h | 37 enum Units { INTERNAL, KCALMOL, JMOL, kT }; enumerator
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| H A D | BasePhysCalc.h | 92 } else if (unit == JMOL) in compute_units()
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| /dports/science/jmol/jmol-14.32.7/src/org/jmol/util/ |
| H A D | ColorEncoder.java | 91 public final static int JMOL = 2; field in ColorEncoder
206 case JMOL: in makeColorScheme()
244 case JMOL: in makeColorScheme()
407 case JMOL: in getColorSchemeArray()
461 case JMOL: in getPaletteColorCount()
509 case JMOL: in getArgbFromPalette()
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| /dports/science/jmol/jmol-14.32.7/src/jspecview/common/ |
| H A D | ScriptToken.java | 79 JMOL("...Jmol command...", "send a command to Jmol (if present)"), enumConstant
218 case JMOL: in getValue()
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| /dports/science/jmol/jmol-14.32.7/src/org/jmol/c/ |
| H A D | VDW.java | 30 JMOL(0, "Jmol",null), //OpenBabel-1.0 enumConstant
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| H A D | PAL.java | 50 JMOL("jmol",PAL.PALETTE_JMOL), enumConstant
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/pb_s_am/pbam/src/ |
| H A D | PhysCalcAM.cpp | 273 } else if (unt == JMOL) in compute_units()
621 } else if (unit == JMOL) in compute_units()
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| /dports/science/jmol/jmol-14.32.7/src/org/jmol/viewer/ |
| H A D | ColorManager.java | 271 ColorEncoder.JMOL); in getJmolOrRasmolArgb()
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| H A D | Jmol.properties | 478 bug fix: Locally loaded JavaScript files not save in ZIP, PNGJ, JMOL
13483 JavaScript: JSmol writes PNG, PNGJ, JMOL, ZIP files from a web page
13886 can be reloaded from a file saved in the PNGJ or JMOL zip directory
14047 then whatever else is necessary to create the PNGJ or JMOL file
14063 remote file and store it in the PNGJ/JMOL file as xxxx.pdb.gz.
14065 bug fix: Jmol 12.3.28 breaks writing JMOL/PNGJ files
14077 DELETED 6/10/2012 due to breaking of JMOL/PNGJ format
14274 -- saved by write JMOL as a JVXL file "isosurface_ID"
14720 new feature: "Write PNG+JMOL" added to application and signed applet menu
14723 -- creates a PNG file with appended JMOL (zip) data containing
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| H A D | Viewer.java | 370 defaultVdw = VDW.JMOL; in Viewer()
8565 type = VDW.JMOL; in getVanderwaalsMarType()
8576 case JMOL: in setVdwStr()
8583 type = VDW.JMOL; in setVdwStr()
8600 mode = VDW.JMOL; in setUserVdw()
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| /dports/science/libint2/libint-2.7.1/ |
| H A D | CHANGES | 115 - Molden exporter supports crystaline orbitals (JMOL extension)
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| /dports/science/phonopy/phonopy-2.11.0/doc/ |
| H A D | setting-tags.rst | 1233 ANIME_TYPE = JMOL
1235 There are ``V_SIM``, ``ARC``, ``XYZ``, ``JMOL``, and ``POSCAR``
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| /dports/science/jmol/jmol-14.32.7/src/org/jmol/translation/JmolApplet/ |
| H A D | ja.po | 1792 msgid "Save as PNG/JMOL (image+zip)"
1793 msgstr "すべてをJMOLファイル (zip)として保存"
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| H A D | ru.po | 1782 msgid "Save as PNG/JMOL (image+zip)"
1783 msgstr "Сохранить как файл PNG/JMOL (рисунок+zip)"
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