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COMPARE
[PSF unit-number] [PARM unit-number] [CONS unit-number]
{ MAIN }
[COOR { coor-spec } [STORe] del]
{ COMPare }
[SEGMATCH repeat(segid segid) del ]
[repeat(resmatch-command)]
[repeat(atomatch-command)]
[FIRSTU unit-number]
[SIDE ] [NUNIT integer ]
[COORMATCH [BACK ] [SAVE name] [ DYNAMICS [OUTPUTU unit-number] [MASS] ]
[NOROT] [NFILE integer ]
[SKIP integer ]
[HBOND [UNIT unit-number] hbond-specs del]
[ COPY ]
[NBOND [UNIT unit-number] non-bond-specs del]
[ COPY ]
[PBE [UNIT unit-number] del]
[NAME word ]
[VERBOSE]
resmatch-command ::=
RESMATCH { ALLSEG } [PRINT] [ NOHOMOLOGY ]
{segid segid} [HOMOLOGY homology-options]
repeat(resid resid) deldel
homology-options ::= [range-spec] [cons-spec] [prot-spec]
range-spec ::= RANGES repeat(range-set) del
range-set ::= resid resid resid resid
cons-spec ::= repeat(CONSERVE repeat(resname) del)
prot-spec ::= PROTECT repeat(resid resid) del
atomatch-command ::=
[ ALLSEG ] [ ALLRES ]
ATOMATCH [segid segid] [ RESID resid resid ]
[RESNAME resname resname]
[ONLY] repeat(iupac iupac) del
name ::= word
Syntactic ordering: The operands of the `resmatch-command' and `atomatch-command' must be specified in the given order, except for the PRINT option in the resmatch-command.
The `coor-spec' is a file specification for coordinates. See Read Syntax, for the detailed syntax.
The `non-bond-specs' are described in Non-bonded Syntax.
The `hbond-specs' are described in HBOND Syntax.
NOTE: The syntax above requires that single delimiters sometimes be placed next to double delimiters. In this case, be sure to leave a space between the single delimiter and the succeeding double delimiter. $ $$ is OK; $$$ or $$ $ is not.