Re: [ccp4bb] CCP4BB Digest - 13 Feb 2021 to 14 Feb 2021 (#2021-51)

> On Feb 14, 2021, at 4:00 PM, CCP4BB automatic digest system > wrote: > > Date:Sat, 13 Feb 2021 20:24:07 -0500 > From:Nicholas Larsen > > Subject: Re: Bug in mmCIF handling of UNK residues? > > I hope this doesn't confuse the discussion, but

[ccp4bb] Off-topic: research associate job posting

Dear CCP4 friends We are looking for fresh talent :) please see the posting below or directly at MassBio.

Re: [ccp4bb] Bug in mmCIF handling of UNK residues?

On Sat, Feb 13, 2021, Nicholas Larsen wrote: I hope this doesn't confuse the discussion, but my understanding was "UNK" stood for "unknown" residue and this will cause errors. UNK is a legitimate entry in the components.cif collection. It's name is indeed "UNKNOWN", but it is of type

[ccp4bb] geometry validation coot 0.9 vs 0.8

Dear all, I see that there are substantial differences in the Z-scores of the geometry validation in coot depending if I use 0.8.9.2 and 0.9.3 for the same PDB file. I do not expect any change in the geometry criteria, so I am a bit puzzled Any suggestion? best regards G.