topcut
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Navigation: Documentation / Commands / topcut
topcut: version 2.231.418d045(2020-03-01 18:49) [CATs - Conversion And Analysis Tools]
Name
topcut
Synopsis
topcut [OPTIONS] [--] OLD MASK NEW
Description
Cut AMBER topology and saves it as new one. Artifical topologies with open valences could be save too but use them only for visualisation purposes not for energy evaluation.
Arguments
| OLD old topology name. If - is provided then topology is read from standard input stream.
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| MASK mask specification
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| NEW new topology name. If - is provided then topology is written to standard output stream.
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Options
| -c, --coords CRD optional coordinates in AMBER coordinate format, coordinates are mandatory for masks containing distance operators (: @)
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| -f, --maskfile read mask specification from the first line of the file of name MASK. This option is suitable for the specification of very long masks.
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| --copybox copy old box information to new topology
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| --ignoreerrors ignore open valences in newly created topology
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| --ver6 save new topology in version AMBER 6
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| -v, --verbose increase output verbosity
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| --version output version information and exit
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| -h, --help display this help and exit
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