NAMD
PDB Member List

This is the complete list of members for PDB, including all inherited members.

atom(int place)PDB
atoms(void)PDBinline
find_extremes(const Lattice &, BigReal frac=1.0)PDB
get_all_positions(Vector *)PDB
get_extremes(ScaledPosition &xmin, ScaledPosition &xmax) const PDBinline
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