#CCP4I VERSION CCP4Interface 0.16
#CCP4I SCRIPT DEF protin
#CCP4I DATE 07 Dec 1998  12:34:45
#CCP4I USER mgwt
#CCP4I PROJECT ccp4itut /y/people/mgwt/gui/ccp4itut/CCP4_DATABASE
#CCP4I JOB 
PROTIN_XYZIN              /y/programs/xtal/ccp4/examples/rnase/rnase-refiworkshop.pdb
DIR_PROTIN_XYZIN          rnase_exam
DICTPROTN                 /y/programs/xtal/ccp4/lib/data/protin.dic
DIR_DICTPROTN             ccp4itut
LIST                      few
N_CHAIN_TYPES             3
CHAIN_CONSTITUTION,0      PROTEIN
CHAIN_CONSTITUTION,1      PROTEIN
CHAIN_CONSTITUTION,2      WAT
CHAIN_CONSTITUTION,3      WAT
CHAIN_NCS_CONSTRAINT,0    0
NTERM_ID,0                1
NTERM_ID,1                1
NTERM_ID,2                1
NTERM_ID,3                1
NTERM_AA,0                gly
NTERM_AA,1                asp
NTERM_AA,2                gly
NTERM_AA,3                gly
NTERM_GROUP,0             3
NTERM_GROUP,1             3
NTERM_GROUP,2             3
NTERM_GROUP,3             3
CTERM_ID,0                ""
CTERM_ID,1                96
CTERM_ID,2                ""
CTERM_ID,3                ""
CTERM_AA,0                gly
CTERM_AA,1                cys
CTERM_AA,2                gly
CTERM_AA,3                gly
CTERM_GROUP,0             2
CTERM_GROUP,1             2
CTERM_GROUP,2             2
CTERM_GROUP,3             2
N_INTRA_DISULPHIDES       1
INTRA_DISULPHIDE_CHAIN_TYPE,0 1
INTRA_DISULPHIDE_CHAIN_TYPE,1 1
INTRA_DISULPHIDE_RES1,0   ""
INTRA_DISULPHIDE_RES1,1   7
INTRA_DISULPHIDE_RES2,0   ""
INTRA_DISULPHIDE_RES2,1   96
N_SPECIAL_GROUP,0         0
N_SPECIAL_GROUP,1         0
N_SPECIAL_GROUP,2         1
N_SPECIAL_GROUP,3         0
SPECIAL_GROUP_CHAIN_TYPE,0 1
SPECIAL_GROUP_TYPE,0      CISP
SPECIAL_GROUP_TYPE,2_1    CISP
SPECIAL_GROUP_TYPE,1      CISP
SPECIAL_GROUP_TYPE,2      CISP
SPECIAL_GROUP_TYPE,3      CISP
SPECIAL_GROUP_RES,0       ""
SPECIAL_GROUP_RES,2_1     ""
N_INTRA_DIST              0
INTRA_DIST_CHAIN_TYPE,0   1
INTRA_DIST_RES1,0         ""
INTRA_DIST_ATOM1,0        ""
INTRA_DIST_RES2,0         ""
INTRA_DIST_ATOM2,0        ""
INTRA_DIST_DIST,0         ""
INTRA_DIST_IKWT,0         1
INTRA_DIST_IBWT,0         1
N_CHAINS                  4
CHAIN_ID,0                ""
CHAIN_ID,1                A
CHAIN_ID,2                B
CHAIN_ID,3                U
CHAIN_ID,4                W
CHAIN_TYPE,0              1
CHAIN_TYPE,1              1
CHAIN_TYPE,2              1
CHAIN_TYPE,3              2
CHAIN_TYPE,4              3
CHAIN_OFFSET,0            0
CHAIN_OFFSET,1            0
CHAIN_OFFSET,2            0
CHAIN_OFFSET,3            0
CHAIN_OFFSET,4            0
N_INTER_DISULPHIDES       0
INTER_DISULPHIDE_CHAIN1,0 " "
INTER_DISULPHIDE_RES1,0   ""
INTER_DISULPHIDE_CHAIN2,0 " "
INTER_DISULPHIDE_RES2,0   ""
N_INTER_DIST              0
INTER_DIST_CHAIN1,0       " "
INTER_DIST_RES1,0         ""
INTER_DIST_ATOM1,0        ""
INTER_DIST_CHAIN2,0       " "
INTER_DIST_RES2,0         ""
INTER_DIST_ATOM2,0        ""
INTER_DIST_DIST,0         ""
INTER_DIST_IKWT,0         1
INTER_DIST_IBWT,0         1
N_NONX                    0
N_NONX_CHN,0              0
NONX_CHN,0                ""
N_NONX_SPANS,0            0
NONX_SPANS_RES1,0         ""
NONX_SPANS_RES2,0         ""
NONX_SPANS_CODE,0         4
