Discngine/fpocket

fpocket fails to run on a mmcif file with customized fields

Closed this issue · 1 comments

Describe the bug
When I add custom fields to an mmcif file, fpocket is not able to discover pockets anymore (it was able to discover pockets in the mmcif file downloaded from the PDB: 4gfo)

To Reproduce
Steps to reproduce the behavior:

  1. Run fpocket on the attached file
    4gfo_customized.cif.gz

Expected behavior
Detect pockets

Desktop (please complete the following information):

  • OS: ubuntu
  • Version 22.04

fixed with #121