fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and extract pocket descriptors on a large scale level. fpocket is distributed as free open source software. If you are interested in integrating fpocket in an industrial setting and require official support, please contact Discngine (www.discngine.com).
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Insertion codes are missing from .cif pocket files generated by fpocket #129
Insertion codes could be ideally added along with the original label_seq_id in the information of the generated cif pocket file.
auth_seq_id can be added as auth_seq_id field.
Insertion codes are missing from .cif pocket files generated by fpocket.
To Reproduce Steps to reproduce the behavior:
fpocket -f 1h8d.cif -d -w cif -l 1
Expected behavior Having insertion codes in pocket files according to the original structure file.
Screenshots
Original file sample (PDB 1h8d):
Pocket file for the same residue ID:
run with fpocket image 4.1.1