OpenFreeEnergy / OpenFreeEnergy/feflow

Test insertion codes

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#81 3 comments 0 reactions 1 assignee View on GitHub

@ijpulidos is already working on this.

Since Sep 26, 2024.

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Python
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Description

  • Test insertion codes. For example ALA PDB with insertion codes.

Just take a PDB with insertion codes and check we can run it in our protein mutation protocol. We would just pick the first insertion code to be used.

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