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steric_1.11
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Makefile,
Makefile.sgi,
README.steric,
contplot,
craig.c,
craig.h,
crystal.c,
crystal.h,
integrat.c,
integrat.h,
leach.c,
leach.h,
long_steric,
makeit,
mapcont,
mapcont.c,
mapprof,
mapprof.c,
profplot,
proja.c,
proja.h,
ryan.c,
ryan.h,
ryan_perm.c,
ryan_perm.h,
ryan_quad.c,
ryan_quad.h,
steraid.c,
steraid.h,
stercalc.c,
stercalc.h,
stercomm.c,
stercomm.h,
sterdefn.h,
stererr.h,
sterfile.c,
sterfile.h,
stergrap.c,
stergrap.h,
stergrp.c,
stergrp.h,
steric,
steric.TeX,
steric.err,
steric.grp,
steric.hlp,
steric.ini,
steric.par,
stermain.c,
stermem.c,
stermem.h,
sterover.c,
sterover.h,
sterplot,
stertext.c,
stertext.h,
test.bgf,
test.inp,
vectors.c,
vectors.h,
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/**************************************************************************/
/**************************************************************************/
/**************************************************************************/
/**************************************************************************/
/**************************************************************************/
/************************** "steric" **********************************/
/**************************************************************************/
/************* Program to calculate ligand cone ********************/
/************* angles as a measure of steric size ********************/
/**************************************************************************/
/**************************************************************************/
/**************************************************************************/
/****************** Group Functions **************************/
/**************************************************************************/
/****************** This module is **************************/
/****************** system independant **************************/
/**************************************************************************/
#define NO_SINGLE 1 /* no single atom groups in Find_All_Bonded_Groups */
void Initialize_Group(Grps *group);
int Get_Group_Names(char *inline, char *outline, char **oargs);
int Get_Groups_by_Name(Mol *M, char **args, int num, Grps **group);
int Group_Matches(Grps *mgroup, Grps *group);
int Kill_All_Groups(Mol *M, char *name);
double Find_Max_Group_SVangles(Mol *M);
int Find_Bonded_Atoms(Grps *group, Atms *o, int i);
int Assign_Groups(Mol *M);
int Find_All_Bonded_Groups(Mol *M, unsigned mode);
/**************************************************************************/
/*************************** The End ... *********************************/
/**************************************************************************/
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