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Output cif with protein and pocket doesn't containg the types of alpha spheres #120

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pschmidtke opened this issue Dec 4, 2023 · 0 comments
Open

Output cif with protein and pocket doesn't containg the types of alpha spheres #120

pschmidtke opened this issue Dec 4, 2023 · 0 comments
Milestone
Release 5.0

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@pschmidtke
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Describe the bug
When running an explicit pocket detection, the output cif which contains the protein & the alpha spheres only contains APOL alpha spheres -> typing done for pqr is not done for cifs.
To Reproduce
Steps to reproduce the behavior:

  1. Run fpocket on 1uyd.cif with -r 1224:PU8:A
  2. check out the 1uyd_out/1uyd_out.cif

Expected behavior
Residue typing & elements should be like in the pqr file
@pschmidtke pschmidtke added this to the Release 4.2 milestone Dec 4, 2023
@pschmidtke pschmidtke modified the milestones: Release 4.2, Release 5.0 Apr 5, 2024
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@pschmidtke