Re: [ccp4bb] How to fix: residues with missing atoms

2020-05-23 Thread Yong Tang
Dear Paul - your tip seems like a life-saver. I gave it a quick try but failed, not in that it didn't filled up the side chains well, but in that the patched-up residues are now broken apart from its original polypeptide chains. Extensions -> All Molecule -> [Post MR] Fill Partial Residues... I'm

Re: [ccp4bb] How to fix: residues with missing atoms

2020-05-23 Thread Paul Emsley
On 23/05/2020 20:18, Yong Tang wrote: Dear all, is there a way to "automatically" patch up the missing atoms in the residues that otherwise are properly defined in a PDB entry. For example, an Arginine is defined as Arginine but only has the beta carbon on the side chain. In Coot I could use

Re: [ccp4bb] How to fix: residues with missing atoms

2020-05-23 Thread Tanner, John J.
Try SWISS-MODEL. Sent from Jack's iPhone On May 23, 2020, at 6:24 PM, Eugene Osipov wrote:  Dear Yong, you could use freely available Chimera.Use Tools->Structure Editing-> Dock prep. in order to add missing side chains to your protein. Another option - Protein preparation tool from Schroding

Re: [ccp4bb] How to fix: residues with missing atoms

2020-05-23 Thread Eugene Osipov
Dear Yong, you could use freely available Chimera.Use Tools->Structure Editing-> Dock prep. in order to add missing side chains to your protein. Another option - Protein preparation tool from Schrodinger Suite. However, it is non-free. сб, 23 мая 2020 г. в 21:19, Yong Tang : > Dear all, is there

[ccp4bb] How to fix: residues with missing atoms

2020-05-23 Thread Yong Tang
Dear all, is there a way to "automatically" patch up the missing atoms in the residues that otherwise are properly defined in a PDB entry. For example, an Arginine is defined as Arginine but only has the beta carbon on the side chain. In Coot I could use the Extensions/Modeling/Residues with Missi