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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 ********************/
/**************************************************************************/
/**************************************************************************/
/**************************************************************************/
/****************** Memory Management **************************/
/**************************************************************************/
/****************** This module is **************************/
/****************** system independant **************************/
/**************************************************************************/
Parm *New_Parm(Parm *old);
Bond *New_Bond(Bond *old);
Atms *New_Atom(Atms *old);
Symm *New_Symm(Symm *old);
Grps *New_Group(Grps *old);
Conf *New_Conformer(Conf *old);
Ster *New_Steric(Ster *old);
Mol *New_Molecule(Mol *old);
void New_Profile(Ster *ster, size_t size);
/**************************************************************************/
Parm *First_Parm(Parm *current);
Parm *Last_Parm(Parm *current);
Bond *First_Bond(Bond *current);
Bond *Last_Bond(Bond *current);
Atms *First_Atom(Atms *current);
Atms *Last_Atom(Atms *current);
Symm *First_Symm(Symm *current);
Symm *Last_Symm(Symm *current);
Grps *First_Group(Grps *current);
Grps *Last_Group(Grps *current);
Conf *First_Conformer(Conf *current);
Conf *Last_Conformer(Conf *current);
Ster *First_Steric(Ster *current);
Ster *Last_Steric(Ster *current);
Mol *First_Molecule(Mol *current);
Mol *Last_Molecule(Mol *current);
/**************************************************************************/
int Get_Parm_Number(Parm *current);
int Get_Bond_Number(Bond *current);
int Get_Atom_Number(Atms *current);
int Get_Symm_Number(Symm *current);
int Get_Group_Number(Grps *current);
int Get_Conformer_Number(Conf *current);
int Get_Steric_Number(Ster *current);
int Get_Molecule_Number(Mol *current);
/**************************************************************************/
Parm *Goto_Parm(Parm *current, int num);
Bond *Goto_Bond(Bond *current, int num);
Atms *Goto_Atom(Atms *current, int num);
Symm *Goto_Symm(Symm *current, int num);
Grps *Goto_Group(Grps *current, int num);
Conf *Goto_Conformer(Conf *current, int num);
Ster *Goto_Steric(Ster *current, int num);
Mol *Goto_Molecule(Mol *current, int num);
/**************************************************************************/
Atms *Goto_Atom_Name(Atms *current, char *name);
Grps *Goto_Group_Name(Grps *current, char *name);
Ster *Goto_Steric_Name(Ster *current, char *name);
Mol *Goto_Molecule_Name(Mol *current, char *name);
Ster *Goto_Steric_Type(Ster *current, char type);
/**************************************************************************/
Parm *Next_Parm(Parm *current);
Parm *Previous_Parm(Parm *current);
Bond *Next_Bond(Bond *current);
Bond *Previous_Bond(Bond *current);
Atms *Next_Atom(Atms *current);
Atms *Previous_Atom(Atms *current);
Symm *Next_Symm(Symm *current);
Symm *Previous_Symm(Symm *current);
Grps *Next_Group(Grps *current);
Grps *Previous_Group(Grps *current);
Conf *Next_Conformer(Conf *current);
Conf *Previous_Conformer(Conf *current);
Ster *Next_Steric(Ster *current);
Ster *Previous_Steric(Ster *current);
Mol *Next_Molecule(Mol *current);
Mol *Previous_Molecule(Mol *current);
/**************************************************************************/
Parm *Close_Parm(Parm *current);
Bond *Close_Bond(Bond *current);
Atms *Close_Atom(Atms *current);
Symm *Close_Symm(Symm *current);
Grps *Close_Group(Grps *current);
Conf *Close_Conformer(Conf *current);
Ster *Close_Steric(Ster *current);
Mol *Close_Molecule(Mol *current);
/**************************************************************************/
Parm *Close_All_Parms(Parm *parm);
Bond *Close_All_Bonds(Bond *bond);
Atms *Close_Current_Atom(Atms *atom);
Atms *Close_All_Atoms(Atms *atom, unsigned mode);
Symm *Close_All_Symmetries(Symm *symm);
Grps *Close_All_Groups(Grps *atom);
Conf *Close_All_Conformers(Conf *conf);
Ster *Close_All_Sterics(Ster *ster);
void Close_Profile(Ster *ster);
int Close_All_Arrays(Mol *M);
Mol *Close_Current_Molecule(Mol *M);
/**************************************************************************/
/****************** The End ... ******************************************/
/**************************************************************************/
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