Hexadecimal `_atom_site.id` are written instead of decimal numbers
Closed this issue · 1 comments
PeyratG commented
Describe the bug
For the file 1vvj.cif, hexadecimal _atom_site.id are written instead of decimal numbers.
To Reproduce
Steps to reproduce the behavior:
Call fpocket with fpocket -f 1vvj.cif -r '37:1MG:XY' -d -w cif -l 1
Expected behavior
Having atom site IDs in decimal numbers.
Screenshots
Desktop (please complete the following information):
- OS: Ubuntu 22.04
- fpocket image 4.1.5
Additional context
I run fpocket from its docker images with the command export UID && docker run -v $(pwd)/data/:/data/ -u $UID:$UID fpocket/fpocket fpocket -f /data/my_structures/1vvj.cif -r '37:1MG:XY' -d -w cif -l 1
File to reproduce :
1vvj.cif.zip
pschmidtke commented
dropping changes to hexadecimal numbers for mmcif writing ONLY
same for residue numbers