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root/freemol/trunk/src/mengine/src/pcmod.h

#	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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