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Wrapdata #810

Merged
merged 6 commits into from
Apr 22, 2020
Merged

Wrapdata #810

merged 6 commits into from
Apr 22, 2020

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drroe
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@drroe drroe commented Apr 21, 2020

Add new subcommand to dataset command, shift; can be used to apply offsets to data that match certain criteria:

shift [above <value> by <offset>] [below <value> by <offset>] <set arg0> ...

For example, to shift torsion data that is -180 to 180 to 0 to 360:

dataset shift TorsionSet below 0 by 360

@drroe drroe self-assigned this Apr 21, 2020
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drroe commented Apr 22, 2020

Not sure what happened with pytraj - builds for me on my local box.

@drroe drroe merged commit e556da2 into Amber-MD:master Apr 22, 2020
@drroe drroe deleted the wrapdata branch April 22, 2020 01:06
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