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19 lines
850 B
Plaintext
19 lines
850 B
Plaintext
statgen - program that analyzes molecular dynamic trajectories using topological analysis
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Usage:
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statgen -i INPUT -s FIRST,LAST -c X,Y,Z -a ... -r ... -o OUTPUT [ -g DEPTH ]
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[ -l LOGFILE ] [ -q ] [ -h ]
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Parametrs:
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-i - mask of input files
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-s - trajectory steps (integer)
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-c - cell size (float), A
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-a - atom types (integer). Format: 'ATOM1' or 'ATOM1,ATOM2' or etc
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-r - criteria (float), A. Format: '0-0:2.4,0-1:3.0' means 0-0-interaction
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(<2.4 A) and 0-1 (<3.0) are needed. This flag can be used multiple times
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-o - output file name
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-g - check graph isomorphism. DEPTH is max depth for check cycles (>= 3)
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-l - log enable
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-q - quiet enable
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-h - show this help and exit
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