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16 lines
618 B
Plaintext
16 lines
618 B
Plaintext
envir - program that searchs environment for chosen molecule by geometric criterion
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Usage:
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envir -i FILENAME -c X,Y,Z -o FILEMANE [ -n NUM_OF_MOLECULE ] [ -r RADIUS ]
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[ -l LOGFILE ] [ -q ] [ -h ]
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Parametrs:
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-i - input file with coordinates
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-c - cell size (float), A
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-o - output file with coordinates
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-n - number of molecule for search (integer). Default is 1
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-r - radius of environment (float). Default is 6.0
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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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