[ccp4bb] Bond length and angle outlier fixing

2017-05-17 Thread Vipul Panchal
HI all. I am solving protein structure with 2.16A resolution. There are two chain in an asymmetric unit. While submitted to PDB validation server, i could see few ligand bond -length and -angle outlier. Coot doesn't have any module that can help me with these as per my best understanding. Kindly f

Re: [ccp4bb] Bond length and angle outlier fixing

2017-05-17 Thread Paul Emsley
On 17/05/2017 13:34, Vipul Panchal wrote: I am solving protein structure with 2.16A resolution. There are two chain in an asymmetric unit. While submitted to PDB validation server, i could see few ligand bond -length and -angle outlier. Coot doesn't have any module that can help me with these

Re: [ccp4bb] Bond length and angle outlier fixing

2017-05-17 Thread Paul Adams
To add to Pavel’s comments, it is also possible to do the automated model building in Phenix: http://www.phenix-online.org/documentation/reference/map_to_model.html As Pavel said: there is Phenix mailing list for Phenix-specific questions > On May 17, 2017, at 10:24 AM, Paul Emsley wr

Re: [ccp4bb] Bond length and angle outlier fixing

2017-05-17 Thread Vipul Panchal
Thanks all for the reply. I will follow your suggestion and will get back. Sincerely, On Thu, May 18, 2017 at 5:02 AM, Paul Adams wrote: > To add to Pavel’s comments, it is also possible to do the automated model > building in Phenix: > > http://www.phenix-online.org/documentation/refer

[ccp4bb] AW: [ccp4bb] Bond length and angle outlier fixing

2017-05-17 Thread Herman . Schreuder
, there will always be some residues at the extreme ends. Best, Herman Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Vipul Panchal Gesendet: Mittwoch, 17. Mai 2017 14:34 An: CCP4BB@JISCMAIL.AC.UK Betreff: [ccp4bb] Bond length and angle outlier fixing HI all. I am solving