Re: [ccp4bb] ccp4 monomer library atom name change

2024-05-22 Thread Keitaro Yamashita
Dear Charis, Please see: https://www.wwpdb.org/news/news?year=2023#654a801dd78e004e766a96bd Because wwPDB has changed these atoms names, the monomer library was updated accordingly. More than 800 monomers were affected. We have added the old atom names in _chem_comp_atom.alt_atom_id to help progr

[ccp4bb] ccp4 monomer library atom name change

2024-05-22 Thread Harris Georgiou
Dear colleagues, We have recently discovered a change in the monomer library and specifically a change in the atom names of PYR.cif. The atom names of this monomer were changed between ccp4 version 8.0.016 and version 8.0.018. We were wondering if this change was on purpose and if these new ato