Re: [ccp4bb] ideal ligands

2021-02-06 Thread Bernhard Rupp
True. Sameer seems to be on it. In the meantime, I simly adjust my expectations of 'ideal' :-) Cheers br On Sat, Feb 6, 2021, 06:40 Tristan Croll wrote: > I know . Just suggesting the most likely cause of the problem. > > -- T > -- > *From:* Bernhard Rupp >

Re: [ccp4bb] ideal ligands

2021-02-06 Thread Sameer Velankar
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 wrote: > >  > I know . Just suggesting the most likely cause of the problem. > > -- T > From: Bernhard Rupp > Sent: 06 February 2021 14:38 >

Re: [ccp4bb] ideal ligands

2021-02-06 Thread Tristan Croll
I know . Just suggesting the most likely cause of the problem. -- T From: Bernhard Rupp Sent: 06 February 2021 14:38 To: Tristan Croll Cc: CCP4BB@jiscmail.ac.uk Subject: Re: [ccp4bb] ideal ligands That is what 'uranium atom solution' implies: All atoms

Re: [ccp4bb] ideal ligands

2021-02-06 Thread Bernhard Rupp
That is what 'uranium atom solution' implies: All atoms collapsing into one :-) Cheers br On Sat, Feb 6, 2021, 06:34 Tristan Croll 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

Re: [ccp4bb] ideal ligands

2021-02-06 Thread Tristan Croll
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 on behalf of Bernhard Rupp Sent: 05 February 2021 20:51 To: