| /dports/science/py-MDAnalysis/MDAnalysis-0.19.2/MDAnalysis/topology/ |
| H A D | guessers.py | 91 def guess_atom_type(atomname): argument
108 def guess_atom_element(atomname): argument
364 def guess_atom_mass(atomname): argument
375 def guess_atom_charge(atomname): argument
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/pdb2pqr/src/ |
| H A D | forcefield.py | 329 def getNames(self, resname, atomname): argument
353 def getGroup(self, resname, atomname): argument
370 def getParams(self, resname, atomname): argument
840 def hasAtom(self, atomname): argument
852 def getAtom(self, atomname): argument
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| /dports/x11/xmotd/xmotd-1.17.3b/ |
| H A D | atom.c | 53 atomExists(String atomname) in atomExists()
|
| /dports/lang/clover/mesa-21.3.6/src/gallium/drivers/r300/ |
| H A D | r300_context.c | 139 #define R300_INIT_ATOM(atomname, atomsize) \ argument
148 #define R300_ALLOC_ATOM(atomname, statetype) \ argument
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| /dports/graphics/libosmesa-gallium/mesa-21.3.6/src/gallium/drivers/r300/ |
| H A D | r300_context.c | 139 #define R300_INIT_ATOM(atomname, atomsize) \ argument
148 #define R300_ALLOC_ATOM(atomname, statetype) \ argument
|
| /dports/graphics/libosmesa/mesa-21.3.6/src/gallium/drivers/r300/ |
| H A D | r300_context.c | 139 #define R300_INIT_ATOM(atomname, atomsize) \ argument
148 #define R300_ALLOC_ATOM(atomname, statetype) \ argument
|
| /dports/graphics/mesa-libs/mesa-21.3.6/src/gallium/drivers/r300/ |
| H A D | r300_context.c | 139 #define R300_INIT_ATOM(atomname, atomsize) \ argument
148 #define R300_ALLOC_ATOM(atomname, statetype) \ argument
|
| /dports/graphics/mesa-dri-gallium/mesa-21.3.6/src/gallium/drivers/r300/ |
| H A D | r300_context.c | 139 #define R300_INIT_ATOM(atomname, atomsize) \ argument
148 #define R300_ALLOC_ATOM(atomname, statetype) \ argument
|
| /dports/graphics/mesa-dri-classic/mesa-20.2.3/src/gallium/drivers/r300/ |
| H A D | r300_context.c | 140 #define R300_INIT_ATOM(atomname, atomsize) \ argument
149 #define R300_ALLOC_ATOM(atomname, statetype) \ argument
|
| /dports/graphics/mesa-gallium-va/mesa-21.3.6/src/gallium/drivers/r300/ |
| H A D | r300_context.c | 139 #define R300_INIT_ATOM(atomname, atomsize) \ argument
148 #define R300_ALLOC_ATOM(atomname, statetype) \ argument
|
| /dports/graphics/mesa-gallium-vdpau/mesa-21.3.6/src/gallium/drivers/r300/ |
| H A D | r300_context.c | 139 #define R300_INIT_ATOM(atomname, atomsize) \ argument
148 #define R300_ALLOC_ATOM(atomname, statetype) \ argument
|
| /dports/graphics/mesa-gallium-xa/mesa-21.3.6/src/gallium/drivers/r300/ |
| H A D | r300_context.c | 139 #define R300_INIT_ATOM(atomname, atomsize) \ argument
148 #define R300_ALLOC_ATOM(atomname, statetype) \ argument
|
| /dports/graphics/mesa-dri/mesa-21.3.6/src/gallium/drivers/r300/ |
| H A D | r300_context.c | 139 #define R300_INIT_ATOM(atomname, atomsize) \ argument
148 #define R300_ALLOC_ATOM(atomname, statetype) \ argument
|
| /dports/graphics/mesa-devel/mesa-22.0-branchpoint-2059-ge8a63cf61ec/src/gallium/drivers/r300/ |
| H A D | r300_context.c | 139 #define R300_INIT_ATOM(atomname, atomsize) \ argument
148 #define R300_ALLOC_ATOM(atomname, statetype) \ argument
|
| /dports/science/plumed/plumed2-2.7.2/src/tools/ |
| H A D | MolDataClass.cpp | 267 auto atomname=mypdb.getAtomName(a); in specialSymbol() local
278 auto atomname=mypdb.getAtomName(a); in specialSymbol() local
|
| /dports/x11-wm/i3/i3-4.20.1/libi3/ |
| H A D | root_atom_contents.c | 28 char *root_atom_contents(const char *atomname, xcb_connection_t *provided_conn, int screen) { in root_atom_contents()
|
| /dports/x11-wm/i3-gaps/i3-4.20.1/libi3/ |
| H A D | root_atom_contents.c | 28 char *root_atom_contents(const char *atomname, xcb_connection_t *provided_conn, int screen) { in root_atom_contents()
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
| H A D | argos_prep_atom_selection.F | 1 subroutine argos_prep_atom_selection(atomname,isegment, argument
7 character*16 atomname(natoms) local
|
| /dports/science/molscript/MolScript-280abee/code/clib/ |
| H A D | mol3d_chain.c | 34 mol3d_chain_find (mol3d *first_mol, char *atomname, in mol3d_chain_find()
|
| /dports/science/clipper/clipper-2.1/clipper/minimol/ |
| H A D | minimol_data.h | 61 const char* atomname; member
|
| /dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/csg-da5c1dc/include/votca/csg/ |
| H A D | xyzwriter.h | 89 std::string atomname = getName(atom); in Write() local
|
| /dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/include/votca/csg/ |
| H A D | xyzwriter.h | 89 std::string atomname = getName(atom); in Write() local
|
| /dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/src/libcsg/modules/io/ |
| H A D | growriter.cc | 63 string atomname = top->getBead(i)->getName(); in Write() local
|
| /dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/csg-da5c1dc/src/libcsg/modules/io/ |
| H A D | growriter.cc | 63 string atomname = top->getBead(i)->getName(); in Write() local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
| H A D | argos_prep_atom_selection.F | 1 subroutine argos_prep_atom_selection(atomname,isegment, argument
|