Searched refs:elementsymbol (Results 1 – 8 of 8) sorted by relevance
| /dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/molfile_plugin/src/ |
| H A D | pdbplugin.c | 138 char elementsymbol[3]; in read_pdb_structure() local
153 ridstr, atom->insertion, atom->altloc, elementsymbol, in read_pdb_structure()
163 pteidx = get_pte_idx_from_string(elementsymbol); in read_pdb_structure()
504 char elementsymbol[3]; in write_timestep() local
536 strcpy(elementsymbol, (atom->atomicnumber < 1) ? " " : get_pte_label(atom->atomicnumber)); in write_timestep()
537 elementsymbol[0] = toupper(elementsymbol[0]); in write_timestep()
538 elementsymbol[1] = toupper(elementsymbol[1]); in write_timestep()
542 atom->insertion, atom->altloc, elementsymbol, in write_timestep()
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| H A D | readpdb.h | 287 char *altloc, char *elementsymbol, in get_pdb_fields() argument
339 strncpy(elementsymbol, record + 76, 2); in get_pdb_fields()
340 elementsymbol[2] = '\0'; in get_pdb_fields()
342 elementsymbol[0] = '\0'; in get_pdb_fields()
350 const char *insertion, const char *altloc, const char *elementsymbol, in write_raw_pdb_record() argument
398 residbuf, insertion[0], x, y, z, occ, beta, segnamebuf, elementsymbol); in write_raw_pdb_record()
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| /dports/science/plumed/plumed2-2.7.2/src/molfile/ |
| H A D | pdbplugin.cpp | 173 char elementsymbol[3]; in read_pdb_structure() local
188 ridstr, atom->insertion, atom->altloc, elementsymbol, in read_pdb_structure()
198 pteidx = get_pte_idx_from_string(elementsymbol); in read_pdb_structure()
539 char elementsymbol[3]; in write_timestep() local
571 strcpy(elementsymbol, (atom->atomicnumber < 1) ? " " : get_pte_label(atom->atomicnumber)); in write_timestep()
572 elementsymbol[0] = toupper(elementsymbol[0]); in write_timestep()
573 elementsymbol[1] = toupper(elementsymbol[1]); in write_timestep()
577 atom->insertion, atom->altloc, elementsymbol, in write_timestep()
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| H A D | readpdb.h | 328 char *altloc, char *elementsymbol, in get_pdb_fields() argument
380 strncpy(elementsymbol, record + 76, 2); in get_pdb_fields()
381 elementsymbol[2] = '\0'; in get_pdb_fields()
383 elementsymbol[0] = '\0'; in get_pdb_fields()
391 const char *insertion, const char *altloc, const char *elementsymbol, in write_raw_pdb_record() argument
439 residbuf, insertion[0], x, y, z, occ, beta, segnamebuf, elementsymbol); in write_raw_pdb_record()
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| /dports/editors/texstudio/texstudio-4.1.2/completion/ |
| H A D | elements.cwl | 13 \elementsymbol{%<atomic number|element name%>}
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| /dports/german/mythes/de-mythes-2021.11.28/ |
| H A D | th_de_DE_v2.idx | 48280 elementsymbol|17085089
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| H A D | th_de_DE_v2.dat | 119931 elementsymbol|1
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| /dports/editors/texstudio/texstudio-4.1.2/utilities/dictionaries/ |
| H A D | th_de_DE_v2.dat | 66216 elementsymbol|1
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