Defines | Functions

src/mmdb_rwbrook.cpp File Reference

#include "string.h"
#include "stdlib.h"
#include "math.h"
#include "mmdb_rwbrook.h"
#include "mmdb_manager.h"
#include "mmdb_tables.h"
#include "hybrid_36.h"

Defines

#define nWarnings   7

Functions

 DefineClass (Channel) class Channel
 FORTRAN_SUBR (MMDB_F_INIT, mmdb_f_init,(),(),())
 FORTRAN_SUBR (MMDB_F_QUIT, mmdb_f_quit,(),(),())
 FORTRAN_SUBR (AUTOSERIALS, autoserials,(int *iOnOff),(int *iOnOff),(int *iOnOff))
 FORTRAN_SUBR (SETREADCOORDS, setreadcoords,(int *iOnOff),(int *iOnOff),(int *iOnOff))
 FORTRAN_SUBR (SIMRWBROOK, simrwbrook,(int *iOnOff),(int *iOnOff),(int *iOnOff))
int GetChannel (int iUnit)
int MakeChannel (int iUnit)
 FORTRAN_SUBR (MMDB_F_OPEN, mmdb_f_open,(mmdb::machine::fpstr FName, mmdb::machine::fpstr RWStat, mmdb::machine::fpstr FType, int *iUnit, int *iRet, intFName_len, intRWStat_len, intFType_len),(mmdb::machine::fpstr FName, mmdb::machine::fpstr RWStat, mmdb::machine::fpstr FType, int *iUnit, int *iRet),(mmdb::machine::fpstr FName, int FName_len, mmdb::machine::fpstr RWStat, int RWStat_len, mmdb::machine::fpstr FType, int FType_len, int *iUnit, int *iRet))
 FORTRAN_SUBR (MMDB_F_OPENL, mmdb_f_openl,(mmdb::machine::fpstr LName, mmdb::machine::fpstr RWStat, mmdb::machine::fpstr FType, int *iUnit, int *iRet, intLName_len, intRWStat_len, intFType_len),(mmdb::machine::fpstr LName, mmdb::machine::fpstr RWStat, mmdb::machine::fpstr FType, int *iUnit, int *iRet),(mmdb::machine::fpstr LName, int LName_len, mmdb::machine::fpstr RWStat, int RWStat_len, mmdb::machine::fpstr FType, int FType_len, int *iUnit, int *iRet))
 FORTRAN_SUBR (MMDB_F_COPY, mmdb_f_copy,(int *iUnit1, int *iUnit2, int *copyKey, int *iRet),(int *iUnit1, int *iUnit2, int *copyKey, int *iRet),(int *iUnit1, int *iUnit2, int *copyKey, int *iRet))
 FORTRAN_SUBR (MMDB_F_DELETE, mmdb_f_delete,(int *iUnit, int *delKey, int *iRet),(int *iUnit, int *delKey, int *iRet),(int *iUnit, int *delKey, int *iRet))
 FORTRAN_SUBR (MMDB_F_SETTYPE, mmdb_f_settype,(int *iUnit, mmdb::machine::fpstr FType, mmdb::machine::fpstr RWStat, int *iRet, intFType_len, intRWStat_len),(int *iUnit, mmdb::machine::fpstr FType, mmdb::machine::fpstr RWStat, int *iRet),(int *iUnit, mmdb::machine::fpstr FType, int FType_len, mmdb::machine::fpstr RWStat, int RWStat_len, int *iRet))
 FORTRAN_SUBR (MMDB_F_SETNAME, mmdb_f_setname,(int *iUnit, mmdb::machine::fpstr FName, int *iRet, intFName_len),(int *iUnit, mmdb::machine::fpstr FName, int *iRet),(int *iUnit, mmdb::machine::fpstr FName, int FName_len, int *iRet))
 FORTRAN_SUBR (MMDB_F_WRITE, mmdb_f_write,(int *iUnit, int *iRet),(int *iUnit, int *iRet),(int *iUnit, int *iRet))
 FORTRAN_SUBR (MMDB_F_CLOSE, mmdb_f_close,(int *iUnit, int *iRet),(int *iUnit, int *iRet),(int *iUnit, int *iRet))
 FORTRAN_SUBR (MMDB_F_ADVANCE, mmdb_f_advance,(int *iUnit, int *iOut, int *iTer, int *iRet),(int *iUnit, int *iOut, int *iTer, int *iRet),(int *iUnit, int *iOut, int *iTer, int *iRet))
 FORTRAN_SUBR (MMDB_F_REWD, mmdb_f_rewd,(int *iUnit, int *iRet),(int *iUnit, int *iRet),(int *iUnit, int *iRet))
 FORTRAN_SUBR (MMDB_F_BKSP, mmdb_f_bksp,(int *iUnit, int *iRet),(int *iUnit, int *iRet),(int *iUnit, int *iRet))
 FORTRAN_SUBR (MMDB_F_SEEK, mmdb_f_seek,(int *iUnit, int *fPos, int *iRet),(int *iUnit, int *fPos, int *iRet),(int *iUnit, int *fPos, int *iRet))
void Make_AN_ID_IZ (mmdb::PAtom atom, mmdb::pstr AtNam, int AtNam_L, mmdb::pstr ID, int ID_L, int *IZ, int *iRet)
 FORTRAN_SUBR (MMDB_F_ATOM, mmdb_f_atom,(int *iUnit, int *iSer, mmdb::machine::fpstr AtNam, mmdb::machine::fpstr ResNam, mmdb::machine::fpstr ChnNam, int *iResN, mmdb::machine::fpstr ResNo, mmdb::machine::fpstr InsCod, mmdb::machine::fpstr AltCod, mmdb::machine::fpstr segID, int *IZ, mmdb::machine::fpstr ID, int *iRet, int AtNam_len, int ResNam_len, int ChnNam_len, int ResNo_len, int InsCod_len, int AltCod_len, int segID_len, int ID_len),(int *iUnit, int *iSer, mmdb::machine::fpstr AtNam, mmdb::machine::fpstr ResNam, mmdb::machine::fpstr ChnNam, int *iResN, mmdb::machine::fpstr ResNo, mmdb::machine::fpstr InsCod, mmdb::machine::fpstr AltCod, mmdb::machine::fpstr segID, int *IZ, mmdb::machine::fpstr ID, int *iRet),(int *iUnit, int *iSer, mmdb::machine::fpstr AtNam, intAtNam_len, mmdb::machine::fpstr ResNam, intResNam_len, mmdb::machine::fpstr ChnNam, intChnNam_len, int *iResN, mmdb::machine::fpstr ResNo, intResNo_len, mmdb::machine::fpstr InsCod, intInsCod_len, mmdb::machine::fpstr AltCod, intAltCod_len, mmdb::machine::fpstr segID, intsegID_len, int *IZ, mmdb::machine::fpstr ID, intID_len, int *iRet))
 FORTRAN_SUBR (MMDB_F_SETTER, mmdb_f_setter,(int *iUnit, int *iRet),(int *iUnit, int *iRet),(int *iUnit, int *iRet))
 FORTRAN_SUBR (MMDB_F_SETHET, mmdb_f_sethet,(int *iUnit, int *iRet),(int *iUnit, int *iRet),(int *iUnit, int *iRet))
 FORTRAN_SUBR (MMDB_F_GETHET, mmdb_f_gethet,(int *iUnit, int *isHet, int *iRet),(int *iUnit, int *isHet, int *iRet),(int *iUnit, int *isHet, int *iRet))
 FORTRAN_SUBR (MMDB_F_COPYATOM, mmdb_f_copyatom,(int *iUnit1, int *iUnit2, int *iRet),(int *iUnit1, int *iUnit2, int *iRet),(int *iUnit1, int *iUnit2, int *iRet))
 FORTRAN_SUBR (MMDB_F_COORD, mmdb_f_coord,(int *iUnit, mmdb::machine::fpstr XFlag, mmdb::machine::fpstr BFlag, mmdb::machine::apireal *x, mmdb::machine::apireal *y, mmdb::machine::apireal *z, mmdb::machine::apireal *occ, mmdb::machine::apireal *BIso, mmdb::machine::apireal *U, int *iRet, int XFlag_len, int BFlag_len),(int *iUnit, mmdb::machine::fpstr XFlag, mmdb::machine::fpstr BFlag, mmdb::machine::apireal *x, mmdb::machine::apireal *y, mmdb::machine::apireal *z, mmdb::machine::apireal *occ, mmdb::machine::apireal *BIso, mmdb::machine::apireal *U, int *iRet),(int *iUnit, mmdb::machine::fpstr XFlag, int XFlag_len, mmdb::machine::fpstr BFlag, int BFlag_len, mmdb::machine::apireal *x, mmdb::machine::apireal *y, mmdb::machine::apireal *z, mmdb::machine::apireal *occ, mmdb::machine::apireal *BIso, mmdb::machine::apireal *U, int *iRet))
 FORTRAN_SUBR (MMDB_F_SETCELL, mmdb_f_setcell,(int *iUnit, mmdb::machine::apireal *a, mmdb::machine::apireal *b, mmdb::machine::apireal *c, mmdb::machine::apireal *alpha, mmdb::machine::apireal *beta, mmdb::machine::apireal *gamma, int *ArgNCode, int *iRet),(int *iUnit, mmdb::machine::apireal *a, mmdb::machine::apireal *b, mmdb::machine::apireal *c, mmdb::machine::apireal *alpha, mmdb::machine::apireal *beta, mmdb::machine::apireal *gamma, int *ArgNCode, int *iRet),(int *iUnit, mmdb::machine::apireal *a, mmdb::machine::apireal *b, mmdb::machine::apireal *c, mmdb::machine::apireal *alpha, mmdb::machine::apireal *beta, mmdb::machine::apireal *gamma, int *ArgNCode, int *iRet))
 FORTRAN_SUBR (MMDB_F_WBSPGRP, mmdb_f_wbspgrp,(int *iUnit, mmdb::machine::fpstr spGroup, int *iRet, int spGroup_len),(int *iUnit, mmdb::machine::fpstr spGroup, int *iRet),(int *iUnit, mmdb::machine::fpstr spGroup, int spGroup_len, int *iRet))
 FORTRAN_SUBR (MMDB_F_RBSPGRP, mmdb_f_rbspgrp,(int *iUnit, mmdb::machine::fpstr spGroup, int *iRet, int spGroup_len),(int *iUnit, mmdb::machine::fpstr spGroup, int *iRet),(int *iUnit, mmdb::machine::fpstr spGroup, int spGroup_len, int *iRet))
 FORTRAN_SUBR (MMDB_F_WBCELL, mmdb_f_wbcell,(int *iUnit, mmdb::machine::apireal *ArgCell, int *ArgNCode, int *iRet),(int *iUnit, mmdb::machine::apireal *ArgCell, int *ArgNCode, int *iRet),(int *iUnit, mmdb::machine::apireal *ArgCell, int *ArgNCode, int *iRet))
 FORTRAN_SUBR (MMDB_F_RBCELL, mmdb_f_rbcell,(int *iUnit, mmdb::machine::apireal *celld, mmdb::machine::apireal *cvol, int *iRet),(int *iUnit, mmdb::machine::apireal *celld, mmdb::machine::apireal *cvol, int *iRet),(int *iUnit, mmdb::machine::apireal *celld, mmdb::machine::apireal *cvol, int *iRet))
 FORTRAN_SUBR (MMDB_F_RBCELLN, mmdb_f_rbcelln,(int *iUnit, mmdb::machine::apireal *celld, mmdb::machine::apireal *cvol, int *ArgNCode, int *iRet),(int *iUnit, mmdb::machine::apireal *celld, mmdb::machine::apireal *cvol, int *ArgNCode, int *iRet),(int *iUnit, mmdb::machine::apireal *celld, mmdb::machine::apireal *cvol, int *ArgNCode, int *iRet))
 FORTRAN_SUBR (MMDB_F_RBRCEL, mmdb_f_rbrcel,(int *iUnit, mmdb::machine::apireal *rcell, mmdb::machine::apireal *rvol, int *iRet),(int *iUnit, mmdb::machine::apireal *rcell, mmdb::machine::apireal *rvol, int *iRet),(int *iUnit, mmdb::machine::apireal *rcell, mmdb::machine::apireal *rvol, int *iRet))
 FORTRAN_SUBR (MMDB_F_RBORF, mmdb_f_rborf,(int *iUnit, mmdb::machine::apireal *RO, mmdb::machine::apireal *RF, int *LCode, int *iRet),(int *iUnit, mmdb::machine::apireal *RO, mmdb::machine::apireal *RF, int *LCode, int *iRet),(int *iUnit, mmdb::machine::apireal *RO, mmdb::machine::apireal *RF, int *LCode, int *iRet))
 FORTRAN_SUBR (MMDB_F_ORTHMAT, mmdb_f_orthmat,(int *iUnit, mmdb::machine::apireal *Cell, mmdb::machine::apireal *Vol, mmdb::machine::apireal *RRR, int *iRet),(int *iUnit, mmdb::machine::apireal *Cell, mmdb::machine::apireal *Vol, mmdb::machine::apireal *RRR, int *iRet),(int *iUnit, mmdb::machine::apireal *Cell, mmdb::machine::apireal *Vol, mmdb::machine::apireal *RRR, int *iRet))
 FORTRAN_SUBR (MMDB_F_CVANISOU, mmdb_f_cvanisou,(int *iUnit, mmdb::machine::apireal *U, int *iFlag, int *iRet),(int *iUnit, mmdb::machine::apireal *U, int *iFlag, int *iRet),(int *iUnit, mmdb::machine::apireal *U, int *iFlag, int *iRet))
 FORTRAN_SUBR (MMDB_F_WREMARK, mmdb_f_wremark,(int *iUnit, mmdb::machine::fpstrLine, int *iRet, intLine_len),(int *iUnit, mmdb::machine::fpstr Line, int *iRet),(int *iUnit, mmdb::machine::fpstr Line, int Line_len, int *iRet))
 FORTRAN_SUBR (RBERRSTOP, rberrstop,(int *iPlace, int *iRet, int *iUnit, int *iStop),(int *iPlace, int *iRet, int *iUnit, int *iStop),(int *iPlace, int *iRet, int *iUnit, int *iStop))
 FORTRAN_SUBR (RBCHECKERR, rbcheckerr,(int *iPlace, int *iStop),(int *iPlace, int *iStop),(int *iPlace, int *iStop))
 FORTRAN_SUBR (HY36ENCODE_F, hy36encode_f,(const int *iwidth, int *value, mmdb::machine::fpstr strval, int strval_len),(const int *iwidth, int *value, mmdb::machine::fpstr strval),(const int *iwidth, int *value, mmdb::machine::fpstr strval, int strval_len))
 FORTRAN_SUBR (HY36DECODE_F, hy36decode_f,(const int *iwidth, mmdb::machine::fpstr strval, int *value, int strval_len),(const int *iwidth, mmdb::machine::fpstr strval, int *value),(const int *iwidth, mmdb::machine::fpstr strval, int strval_len, int *value))

Define Documentation

#define nWarnings   7

Function Documentation

DefineClass ( Channel   )
FORTRAN_SUBR ( MMDB_F_INIT  ,
mmdb_f_init  ,
()  ,
()  ,
()   
)
FORTRAN_SUBR ( HY36ENCODE_F  ,
hy36encode_f  ,
(const int *iwidth, int *value,mmdb::machine::fpstr strval, int strval_len)  ,
(const int *iwidth, int *value,mmdb::machine::fpstr strval)  ,
(const int *iwidth, int *value,mmdb::machine::fpstr strval, int strval_len)   
)
FORTRAN_SUBR ( RBCHECKERR  ,
rbcheckerr  ,
(int *iPlace,int *iStop)  ,
(int *iPlace, int *iStop)  ,
(int *iPlace, int *iStop)   
)
FORTRAN_SUBR ( RBERRSTOP  ,
rberrstop  ,
(int *iPlace,int *iRet,int *iUnit,int *iStop)  ,
(int *iPlace, int *iRet,int *iUnit,int *iStop)  ,
(int *iPlace, int *iRet,int *iUnit,int *iStop)   
)
FORTRAN_SUBR ( MMDB_F_WREMARK  ,
mmdb_f_wremark  ,
(int *iUnit,mmdb::machine::fpstrLine,int *iRet,intLine_len)  ,
(int *iUnit, mmdb::machine::fpstr Line, int *iRet)  ,
(int *iUnit, mmdb::machine::fpstr Line, int Line_len, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_CVANISOU  ,
mmdb_f_cvanisou  ,
(int *iUnit,mmdb::machine::apireal *U,int *iFlag,int *iRet)  ,
(int *iUnit, mmdb::machine::apireal *U, int *iFlag, int *iRet)  ,
(int *iUnit, mmdb::machine::apireal *U, int *iFlag, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_ORTHMAT  ,
mmdb_f_orthmat  ,
(int *iUnit,mmdb::machine::apireal *Cell,mmdb::machine::apireal *Vol,mmdb::machine::apireal *RRR,int *iRet)  ,
(int *iUnit, mmdb::machine::apireal *Cell, mmdb::machine::apireal *Vol,mmdb::machine::apireal *RRR,int *iRet)  ,
(int *iUnit, mmdb::machine::apireal *Cell, mmdb::machine::apireal *Vol,mmdb::machine::apireal *RRR,int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_RBORF  ,
mmdb_f_rborf  ,
(int *iUnit,mmdb::machine::apireal *RO,mmdb::machine::apireal *RF,int *LCode,int *iRet)  ,
(int *iUnit, mmdb::machine::apireal *RO, mmdb::machine::apireal *RF,int *LCode, int *iRet)  ,
(int *iUnit, mmdb::machine::apireal *RO, mmdb::machine::apireal *RF,int *LCode, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_RBRCEL  ,
mmdb_f_rbrcel  ,
(int *iUnit,mmdb::machine::apireal *rcell,mmdb::machine::apireal *rvol,int *iRet)  ,
(int *iUnit,mmdb::machine::apireal *rcell, mmdb::machine::apireal *rvol,int *iRet)  ,
(int *iUnit,mmdb::machine::apireal *rcell, mmdb::machine::apireal *rvol,int *iRet)   
)
FORTRAN_SUBR ( AUTOSERIALS  ,
autoserials  ,
(int *iOnOff)  ,
(int *iOnOff)  ,
(int *iOnOff)   
)
FORTRAN_SUBR ( MMDB_F_CLOSE  ,
mmdb_f_close  ,
(int *iUnit, int *iRet)  ,
(int *iUnit, int *iRet)  ,
(int *iUnit, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_WBCELL  ,
mmdb_f_wbcell  ,
(int *iUnit,mmdb::machine::apireal *ArgCell,int *ArgNCode,int *iRet)  ,
(int *iUnit,mmdb::machine::apireal *ArgCell,int *ArgNCode, int *iRet)  ,
(int *iUnit,mmdb::machine::apireal *ArgCell,int *ArgNCode, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_RBSPGRP  ,
mmdb_f_rbspgrp  ,
(int *iUnit,mmdb::machine::fpstr spGroup,int *iRet,int spGroup_len)  ,
(int *iUnit, mmdb::machine::fpstr spGroup, int *iRet)  ,
(int *iUnit, mmdb::machine::fpstr spGroup, int spGroup_len,int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_WBSPGRP  ,
mmdb_f_wbspgrp  ,
(int *iUnit,mmdb::machine::fpstr spGroup,int *iRet,int spGroup_len)  ,
(int *iUnit, mmdb::machine::fpstr spGroup, int *iRet)  ,
(int *iUnit, mmdb::machine::fpstr spGroup, int spGroup_len,int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_RBCELL  ,
mmdb_f_rbcell  ,
(int *iUnit,mmdb::machine::apireal *celld,mmdb::machine::apireal *cvol,int *iRet)  ,
(int *iUnit,mmdb::machine::apireal *celld,mmdb::machine::apireal *cvol,int *iRet)  ,
(int *iUnit,mmdb::machine::apireal *celld,mmdb::machine::apireal *cvol,int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_COPYATOM  ,
mmdb_f_copyatom  ,
(int *iUnit1, int *iUnit2, int *iRet)  ,
(int *iUnit1, int *iUnit2, int *iRet)  ,
(int *iUnit1, int *iUnit2, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_GETHET  ,
mmdb_f_gethet  ,
(int *iUnit, int *isHet, int *iRet)  ,
(int *iUnit, int *isHet, int *iRet)  ,
(int *iUnit, int *isHet, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_SETHET  ,
mmdb_f_sethet  ,
(int *iUnit, int *iRet)  ,
(int *iUnit, int *iRet)  ,
(int *iUnit, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_SETTER  ,
mmdb_f_setter  ,
(int *iUnit, int *iRet)  ,
(int *iUnit, int *iRet)  ,
(int *iUnit, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_ATOM  ,
mmdb_f_atom  ,
(int *iUnit,int *iSer,mmdb::machine::fpstr AtNam,mmdb::machine::fpstr ResNam,mmdb::machine::fpstr ChnNam,int *iResN,mmdb::machine::fpstr ResNo,mmdb::machine::fpstr InsCod,mmdb::machine::fpstr AltCod,mmdb::machine::fpstr segID,int *IZ,mmdb::machine::fpstr ID,int *iRet,int AtNam_len,int ResNam_len,int ChnNam_len,int ResNo_len,int InsCod_len,int AltCod_len,int segID_len,int ID_len)  ,
(int *iUnit,int *iSer,mmdb::machine::fpstr AtNam,mmdb::machine::fpstr ResNam,mmdb::machine::fpstr ChnNam, int *iResN, mmdb::machine::fpstr ResNo,mmdb::machine::fpstr InsCod,mmdb::machine::fpstr AltCod, mmdb::machine::fpstr segID, int *IZ,mmdb::machine::fpstr ID,int *iRet)  ,
(int *iUnit,int *iSer,mmdb::machine::fpstr AtNam,intAtNam_len,mmdb::machine::fpstr ResNam, intResNam_len,mmdb::machine::fpstr ChnNam, intChnNam_len,int *iResN,mmdb::machine::fpstr ResNo,intResNo_len,mmdb::machine::fpstr InsCod, intInsCod_len,mmdb::machine::fpstr AltCod, intAltCod_len,mmdb::machine::fpstr segID,intsegID_len,int *IZ,mmdb::machine::fpstr ID,intID_len,int *iRet)   
)
FORTRAN_SUBR ( HY36DECODE_F  ,
hy36decode_f  ,
(const int *iwidth,mmdb::machine::fpstr strval, int *value, int strval_len)  ,
(const int *iwidth,mmdb::machine::fpstr strval, int *value)  ,
(const int *iwidth,mmdb::machine::fpstr strval, int strval_len, int *value)   
)
FORTRAN_SUBR ( MMDB_F_SEEK  ,
mmdb_f_seek  ,
(int *iUnit,int *fPos,int *iRet)  ,
(int *iUnit, int *fPos, int *iRet)  ,
(int *iUnit, int *fPos, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_BKSP  ,
mmdb_f_bksp  ,
(int *iUnit, int *iRet)  ,
(int *iUnit, int *iRet)  ,
(int *iUnit, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_REWD  ,
mmdb_f_rewd  ,
(int *iUnit, int *iRet)  ,
(int *iUnit, int *iRet)  ,
(int *iUnit, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_RBCELLN  ,
mmdb_f_rbcelln  ,
(int *iUnit,mmdb::machine::apireal *celld,mmdb::machine::apireal *cvol,int *ArgNCode,int *iRet)  ,
(int *iUnit,mmdb::machine::apireal *celld, mmdb::machine::apireal *cvol,int *ArgNCode, int *iRet)  ,
(int *iUnit,mmdb::machine::apireal *celld, mmdb::machine::apireal *cvol,int *ArgNCode, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_ADVANCE  ,
mmdb_f_advance  ,
(int *iUnit,int *iOut,int *iTer,int *iRet)  ,
(int *iUnit, int *iOut, int *iTer, int *iRet)  ,
(int *iUnit, int *iOut, int *iTer, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_WRITE  ,
mmdb_f_write  ,
(int *iUnit, int *iRet)  ,
(int *iUnit, int *iRet)  ,
(int *iUnit, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_SETCELL  ,
mmdb_f_setcell  ,
(int *iUnit,mmdb::machine::apireal *a,mmdb::machine::apireal *b,mmdb::machine::apireal *c,mmdb::machine::apireal *alpha,mmdb::machine::apireal *beta,mmdb::machine::apireal *gamma,int *ArgNCode,int *iRet)  ,
(int *iUnit,mmdb::machine::apireal *a,mmdb::machine::apireal *b,mmdb::machine::apireal *c,mmdb::machine::apireal *alpha,mmdb::machine::apireal *beta, mmdb::machine::apireal *gamma,int *ArgNCode, int *iRet)  ,
(int *iUnit,mmdb::machine::apireal *a,mmdb::machine::apireal *b,mmdb::machine::apireal *c,mmdb::machine::apireal *alpha,mmdb::machine::apireal *beta, mmdb::machine::apireal *gamma,int *ArgNCode, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_SETTYPE  ,
mmdb_f_settype  ,
(int *iUnit,mmdb::machine::fpstr FType,mmdb::machine::fpstr RWStat,int *iRet,intFType_len,intRWStat_len)  ,
(int *iUnit,mmdb::machine::fpstr FType,mmdb::machine::fpstr RWStat, int *iRet)  ,
(int *iUnit,mmdb::machine::fpstr FType,int FType_len,mmdb::machine::fpstr RWStat,int RWStat_len,int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_DELETE  ,
mmdb_f_delete  ,
(int *iUnit,int *delKey,int *iRet)  ,
(int *iUnit, int *delKey, int *iRet)  ,
(int *iUnit, int *delKey, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_COPY  ,
mmdb_f_copy  ,
(int *iUnit1,int *iUnit2,int *copyKey,int *iRet)  ,
(int *iUnit1,int *iUnit2,int *copyKey, int *iRet)  ,
(int *iUnit1,int *iUnit2,int *copyKey, int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_OPENL  ,
mmdb_f_openl  ,
(mmdb::machine::fpstr LName,mmdb::machine::fpstr RWStat,mmdb::machine::fpstr FType,int *iUnit,int *iRet,intLName_len,intRWStat_len,intFType_len)  ,
(mmdb::machine::fpstr LName,mmdb::machine::fpstr RWStat, mmdb::machine::fpstr FType,int *iUnit,int *iRet)  ,
(mmdb::machine::fpstr LName,int LName_len,mmdb::machine::fpstr RWStat,int RWStat_len,mmdb::machine::fpstr FType,int FType_len,int *iUnit,int *iRet)   
)
FORTRAN_SUBR ( MMDB_F_OPEN  ,
mmdb_f_open  ,
(mmdb::machine::fpstr FName,mmdb::machine::fpstr RWStat,mmdb::machine::fpstr FType,int *iUnit,int *iRet,intFName_len,intRWStat_len,intFType_len)  ,
(mmdb::machine::fpstr FName,mmdb::machine::fpstr RWStat, mmdb::machine::fpstr FType,int *iUnit,int *iRet)  ,
(mmdb::machine::fpstr FName,int FName_len,mmdb::machine::fpstr RWStat,int RWStat_len,mmdb::machine::fpstr FType,int FType_len,int *iUnit,int *iRet)   
)
FORTRAN_SUBR ( SETREADCOORDS  ,
setreadcoords  ,
(int *iOnOff)  ,
(int *iOnOff)  ,
(int *iOnOff)   
)
FORTRAN_SUBR ( MMDB_F_SETNAME  ,
mmdb_f_setname  ,
(int *iUnit,mmdb::machine::fpstr FName,int *iRet,intFName_len)  ,
(int *iUnit, mmdb::machine::fpstr FName, int *iRet)  ,
(int *iUnit,mmdb::machine::fpstr FName, int FName_len,int *iRet)   
)
FORTRAN_SUBR ( SIMRWBROOK  ,
simrwbrook  ,
(int *iOnOff)  ,
(int *iOnOff)  ,
(int *iOnOff)   
)
FORTRAN_SUBR ( MMDB_F_QUIT  ,
mmdb_f_quit  ,
()  ,
()  ,
()   
)
int GetChannel ( int  iUnit )
void Make_AN_ID_IZ ( mmdb::PAtom  atom,
mmdb::pstr  AtNam,
int  AtNam_L,
mmdb::pstr  ID,
int  ID_L,
int *  IZ,
int *  iRet 
)
int MakeChannel ( int  iUnit )
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Defines