Re: [ccp4bb] Positive densities map on selective residues on Coot

2017-03-20 Thread Xiao Lei
Hi Paul, Thanks for the instructions! Works in my case. On Mon, Mar 20, 2017 at 6:05 AM, Paul Emsley wrote: > On 17/03/17 14:41, Xiao Lei wrote: > > > > In Coot, I could adjust the densities of map (2Fo-Fc in my case) > > radius, but I'd like to show the density on selective residues, not > > o

Re: [ccp4bb] Positive densities map on selective residues on Coot or Pymol

2017-03-20 Thread Xiao Lei
Hi Martin, I followed your instructions and everything works. Thank you for your illustration! On Mon, Mar 20, 2017 at 3:52 AM, Martin Montgomery wrote: > Hello, > > You need to tell pymol what to do with the map. > > Load your pdb file > Load the map > > create an object with residues you wish

[ccp4bb] Saving Coordinates of an Unnatural Amino Acid in Jligand

2017-03-20 Thread John Bruning
Hi All, Apologies in advance for a potentially dumb question. I generated a cysteine adduct (DHZ) in JLigand. I can save the .cif and link file and I can get it to refine in Refmac just fine. For a different purpose, I need to save the coordinates of this unnatural amino acid, but when I go t

Re: [ccp4bb] Positive densities map on selective residues on Coot

2017-03-20 Thread Paul Emsley
On 17/03/17 14:41, Xiao Lei wrote: > In Coot, I could adjust the densities of map (2Fo-Fc in my case) > radius, but I'd like to show the density on selective residues, not > on the unselected part of structure, is there a way to do it? Yes. Extensions -> Maps -> Mask Map by Atom Selection...

Re: [ccp4bb] Positive densities map on selective residues on Coot or Pymol

2017-03-20 Thread Martin Montgomery
Hello, You need to tell pymol what to do with the map. Load your pdb file Load the map create an object with residues you wish to display the map around. You can use the create command to do this or you can click on all the residues that you want to use in the main window then go to the objec

[ccp4bb] Fwd: [ccp4bb] No improvement in R-factor after Refmac.

2017-03-20 Thread Polisetty Satya Dev
-- Forwarded message -- From: Polisetty Satya Dev Date: Mon, Mar 20, 2017 at 1:35 PM Subject: Re: [ccp4bb] No improvement in R-factor after Refmac. To: Sudipta Bhattacharyya Hi, I had tried running xtriage but it does not show any sign of NCS. But pointles is showing the followi