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root/freemol/trunk/src/mengine/src/pcmod.h
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# Line 10 | Line 10
10   #define FTYPE_PCM                   109
11   #define FTYPE_SDF                   123
12  
13 //  flags definitions
14 #define PI_MASK                 0
15 #define AROMATIC_MASK           2
16
17 // type rules
18 #define NO_RETYPE               8
19 // Ring Size
20 #define RING3                   20
21 #define RING4                   21
22 #define RING5                   22
23 #define RING6                   23
13  
14   /*  PCMODEL specific definitions */
15  
# Line 49 | Line 38
38   EXTERN FILE             *pcmoutfile;
39   EXTERN char             pcwindir[80];
40   EXTERN int              **skip;
52 EXTERN int              MAXATOM, MAXBND,MAXANG,MAXTOR;
41  
42   /* ##define MAXATOM         1000
43   ##define MAXBND          6*MAXATOM/5

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