--- trunk/src/mengine/src/draw.c	2008/07/08 19:10:25	27
+++ trunk/src/mengine/src/draw.c	2008/12/01 06:44:59	58
@@ -1,20 +1,11 @@
 #define EXTERN extern
 #include "pcwin.h"
 #include "pcmod.h"
-#include "substr.h"
 #include "field.h"
 #include "atom_k.h"
 #include "pot.h"
 #include "energies.h"
 #include "solv.h"
-#include "fix.h"
-
-EXTERN int ncol[];
-
-struct t_residues {
-        int  nchain, ichainstart[10];
-        int  ngroup, iresnum[200], irestype[200], istartatom[200];
-        }       residues;
 
 EXTERN struct t_minim_values {
         int iprint, ndc, nconst;
@@ -30,9 +21,6 @@
         int type, method, field, added_const;
         char added_path[256],added_name[256];
         } minim_control;
-EXTERN struct t_dmomv {
-        float xn,yn,zn,xp,yp,zp;
-        } dmomv;
 EXTERN struct t_dipolemom {
         double total, xdipole, ydipole, zdipole;
        }  dipolemom;
@@ -68,8 +56,6 @@
 void deletebond(int, int);
 void set_atomtype(int,int,int,int,int,int);
 void set_atomdata(int,int,int,int,int,int);
-extern void matrotat(float (*)[4], int, float);
-extern void matxform(float (*)[4], int);
 void message_alert(char *, char *);
 void charge_dipole(void);
 int isangle(int,int);
@@ -115,15 +101,7 @@
            atom[ia].atomnum = atom_k.number[type];
            atom[ia].atomwt = atom_k.weight[type];
           strcpy(atom[ia].name, atom_k.symbol[type]);
-        }
-
-        if ( field.type == MMX && mmxtype == LPTYPE)
-          atom[ia].color = 1;
-        else if ( type < 300 && mmxtype != LPTYPE )
-          atom[ia].color = ncol[atom[ia].atomnum-1];
-        else
-          atom[ia].color = 7;
-        
+        }        
 }
 // ===============================================
 void set_atomtype(int ia, int mmxtype, int mm3type, int mmfftype,int ambertype,int oplstype)
@@ -204,12 +182,8 @@
                           set_atomtype(natom,mmxtype,mm3type,mmfftype,ambertype,oplstype);
                     }
 
-                    atom[natom].color = ncol[atom[natom].atomnum-1];
                     atom[natom].x = x; atom[natom].y = y; atom[natom].z = z;
-                    atom[natom].vdw_radius = Elements[atom[natom].atomnum-1].covradius;
-                    atom[natom].substr[0] = (1L << 0);
                     atom[natom].flags = 0;
-                    substr.istract[0] = TRUE;
                     return natom;
                 } 
             }
@@ -238,11 +212,7 @@
                           atom[natom].opls_type = type;
                   }
                   if (type != 0) atom[natom].type = type;
-                  atom[natom].color = ncol[atom[natom].atomnum-1];
                   atom[natom].x = x; atom[natom].y = y; atom[natom].z = z;
-                  atom[natom].vdw_radius = Elements[i].covradius;
-                  atom[natom].substr[0] = (1L << 0);
-                  substr.istract[0] = TRUE;
                   if (type > 299)
                     return -1;
                   else if (atom[natom].mmff_type == 0)
@@ -321,8 +291,6 @@
    atom[i].y = 0.0F;
    atom[i].z = 0.0F;
    atom[i].flags = 0;
-   for (j=0; j < MAXSSCLASS; j++)
-      atom[i].substr[j] = 0;
    for (j=0; j<MAXIAT; j++)
    {
       if (atom[i].iat[j] != 0 )