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Implement pdb_selmodel #122

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rvhonorato opened this issue Jan 19, 2022 · 1 comment · Fixed by #144
Closed

Implement pdb_selmodel #122

rvhonorato opened this issue Jan 19, 2022 · 1 comment · Fixed by #144
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@rvhonorato
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Is your tool request related to a problem? Please describe.
When we have a multi-model ensemble we need to use pdb_splitmodel and then (in disk) find the appropriate model we want.

Describe the solution you'd like
pdb_selmodel would select a given MODEL in a ensemble or a range of models:

$ pdb_selmodel -1 1ccm.pdb
$ pdb_selmodel -1:5 1ccm.pdb

In case the input is not an ensemble it could instead just return the same pdb instead of an error, then it would not break any pipelines.

Does any of the existing tools or a combination of them do what you want?
No, but pdb_splitmodel + scripting does the trick.

@joaomcteixeira
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joaomcteixeira commented Jan 19, 2022 via email

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