NAMD
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This is the complete list of members for PDB, including all inherited members.
atom(int place) | PDB | |
atoms(void) | PDB | inline |
find_extremes(const Lattice &, BigReal frac=1.0) | PDB | |
get_all_positions(Vector *) | PDB | |
get_extremes(ScaledPosition &xmin, ScaledPosition &xmax) const | PDB | inline |
get_position_for_atom(Vector *, int) | PDB | |
num_atoms(void) | PDB | |
PDB(const char *pdbfilename) | PDB | |
PDB(molfile_plugin_t *pIOHdl, void *pIOFileHdl, int numAtoms, const float *occupancy, const float *bfactor) | PDB | |
PDB(const char *, Ambertoppar *) | PDB | |
PDB(const char *filename, AmberParm7Reader::Ambertoppar *amber_data) | PDB | |
PDB(const char *filename, const GromacsTopFile *topology) | PDB | |
set_all_positions(Vector *) | PDB | |
write(const char *outfilename, const char *commentline=NULL) | PDB | |
~PDB(void) | PDB |