Searched refs:atomfield (Results 1 – 2 of 2) sorted by relevance
| /dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/molfile_plugin/src/ |
| H A D | bgfplugin.cpp | 302 static void getatomfield(char* atomfield, const char* resname) { in getatomfield() argument
304 strncpy(atomfield, "ATOM \0", 7); in getatomfield()
306 strncpy(atomfield, "HETATM\0", 7); in getatomfield()
487 char atomfield[7]; in write_bgf_timestep() local
489 getatomfield(&atomfield[0], atom->resname); in write_bgf_timestep()
490 …%-6s %5i %5s %3.3s %1s %5i%10.5f%10.5f%10.5f %-5s%3i%2i %8.5f%2i%4i\n", atomfield, i+1, atom->name… in write_bgf_timestep()
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| /dports/science/gromacs/gromacs-2021.4/scripts/ |
| H A D | make_gromos_rtp.py | 280 atomfield = typelines[atomtype][0] variable
282 (f.atoms [j][1],atomfield,f.atoms [j][4],chargegroup)
291 atomfield = typelines[atomtype][0] variable
293 (f.atomtr[j][1],atomfield,f.atomtr[j][4][:-2],chargegroup)
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