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

2017-03-22 Thread Goldman, Adrian
; To: b...@hofkristallamt.org <mailto:b...@hofkristallamt.org>; > CCP4BB@JISCMAIL.AC.UK <mailto:CCP4BB@jiscmail.ac.uk> > Subject: RE: [ccp4bb] Positive densities map on selective residues on Coot or > Pymol > > Thank you Bernard. > > I'd like to add that carving the den

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

2017-03-22 Thread Bernhard Rupp
I the software used for that is PhotoBlot® BR From: Phoebe A. Rice [mailto:pr...@uchicago.edu] Sent: Tuesday, March 21, 2017 17:19 To: b...@hofkristallamt.org; CCP4BB@JISCMAIL.AC.UK Subject: RE: [ccp4bb] Positive densities map on selective residues on Coot or Pymol Thank you Bernard

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

2017-03-21 Thread Phoebe A. Rice
hoebe From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Bernhard Rupp [hofkristall...@gmail.com] Sent: Tuesday, March 21, 2017 3:29 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Positive densities map on selective residues on Coot or Pymol > and carve=2.0 means the

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

2017-03-21 Thread Bernhard Rupp
> and carve=2.0 means the mesh is created within 2.0 Ă… of the selected atoms. > Adjust these values to suit. I would advise extreme care when employing such presentation features. They are useful for display purposes and only when their use is stated as such, but they also open a venue fo

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

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

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

2017-03-18 Thread Eleanor Dodson
I think CCP4MG does this very selectively? Eleanor Dodson On 17 March 2017 at 17:03, Xiao Lei wrote: > Dear All, > > Thanks for the information. > I tried the way suggested by pymol wiki, but pymol fail to display the > map. > This is what I did: Run Fft to generate simple mapin ccp4i, input mt

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

2017-03-17 Thread Xiao Lei
Dear All, Thanks for the information. I tried the way suggested by pymol wiki, but pymol fail to display the map. This is what I did: Run Fft to generate simple mapin ccp4i, input mtz map from refmac, set F1=FWT and PHIC=PHWT, Sigma=SigF, Weight=FOM. Add the file extension .map.ccp4 to the genera

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

2017-03-17 Thread Xiao Lei
Dear All, 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? I am using WinCoot 0.81. In addition, could Pymol do it? Thanks ahead!