Closed keitaroyam closed 1 year ago
Using https://github.com/MRC-LMB-ComputationalStructuralBiology/Ligand-Tools/tree/main/fix-groups, all monomers that needed group remediation or alias addition have been updated.
The alias mechanism is supported by gemmi, and can be used by Refmac through servalcat ("refmacat"). The paper will be published soon hopefully..
Updated a script to 1) not make group changes between RNA and DNA, 2) fix H/H2/H3 order in alias (that was random before).
I think they can be merged.
Using https://github.com/MRC-LMB-ComputationalStructuralBiology/Ligand-Tools/tree/main/fix-groups, all monomers that needed group remediation or alias addition have been updated.
The alias mechanism is supported by gemmi, and can be used by Refmac through servalcat ("refmacat"). The paper will be published soon hopefully..