Thank you very much Bernhard for pointing this out. We will investigate what has gone wrong. Thanks Sameer
> On 6 Feb 2021, at 14:40, Tristan Croll <[email protected]> wrote: > > > I know 🙂. Just suggesting the most likely cause of the problem. > > -- T > From: Bernhard Rupp <[email protected]> > Sent: 06 February 2021 14:38 > To: Tristan Croll <[email protected]> > Cc: [email protected] <[email protected]> > Subject: Re: [ccp4bb] ideal ligands > > That is what 'uranium atom solution' implies: > All atoms collapsing into one :-) > > Cheers br > > On Sat, Feb 6, 2021, 06:34 Tristan Croll <[email protected]> wrote: > The ideal coordinates in the CCD entries for BCR and LUT are null - my guess > is that in these cases all the coordinates just default to (0,0,0) in the > PDBeChem script. > From: CCP4 bulletin board <[email protected]> on behalf of Bernhard Rupp > <[email protected]> > Sent: 05 February 2021 20:51 > To: [email protected] <[email protected]> > Subject: [ccp4bb] ideal ligands > > Hi Fellows, > > > > PDBeChem under ‘ideal’ coordinates returns a small molecule uranium atom > solution for BCR, LUT, and possibly other xanthophylls, eg. > > ftp://ftp.ebi.ac.uk/pub/databases/msd/pdbechem_v2/B/BCR/BCR_ideal.pdb > > while the representative files are ok. > > > > Is this intended? > > > > Thx, BR > > ------------------------------------------------------ > > Bernhard Rupp > > http://www.hofkristallamt.org/ > > [email protected] > > +1 925 209 7429 > > +43 676 571 0536 > > ------------------------------------------------------ > > Many plausible ideas vanish > > at the presence of thought > > ------------------------------------------------------ > > > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
