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Multiple molecules in the input PDB file #139

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laumalo opened this issue Apr 15, 2021 · 0 comments · Fixed by #137 or #140
Closed

Multiple molecules in the input PDB file #139

laumalo opened this issue Apr 15, 2021 · 0 comments · Fixed by #137 or #140
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enhancement New feature or request

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laumalo commented Apr 15, 2021

Description

Allow an input PDB file with multiple molecules and the selection of the desired molecule or molecules to parameterize based on their chain.

Solution

Add a PBD class to handle multiple molecule in the same input PDB file.
@laumalo laumalo added the enhancement New feature or request label Apr 15, 2021
@laumalo laumalo self-assigned this Apr 15, 2021
@laumalo laumalo linked a pull request Apr 15, 2021 that will close this issue
Add input module #137
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@martimunicoy martimunicoy linked a pull request Apr 20, 2021 that will close this issue
1.3.0 release #140
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5 tasks
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@laumalo laumalo

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Add input module martimunicoy/peleffy
1.3.0 release martimunicoy/peleffy
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