Re: [ccp4bb] 2Fo-Fc maps in Coot vs. Pymol

2019-10-01 Thread Chris Fage
Dear Murpholino, Yes, I think you're right. For now, directly exporting my maps from Coot is the most efficient solution. The normalization commands will certainly be helpful to me and other users in the future, though. Thanks! Best, Chris

Re: [ccp4bb] 2Fo-Fc maps in Coot vs. Pymol

2019-09-30 Thread Murpholino Peligro
I think this is part of the problem. https://pymolwiki.org/index.php/Normalize_ccp4_maps El lun., 30 de sep. de 2019 a la(s) 10:09, Chris Fage (fage...@gmail.com) escribió: > Hi Paul, > > After exporting the maps from Coot, they are directly comparable in Pymol. > That's quite a convenient

Re: [ccp4bb] 2Fo-Fc maps in Coot vs. Pymol

2019-09-30 Thread Chris Fage
Hi Paul, After exporting the maps from Coot, they are directly comparable in Pymol. That's quite a convenient feature I was never aware of. Thanks! Yes, I was comparing the map from FFT in Coot and PyMOL. Best, Chris

Re: [ccp4bb] 2Fo-Fc maps in Coot vs. Pymol

2019-09-30 Thread Paul Emsley
On 30/09/2019 13:00, Chris Fage wrote: > Dear Paul, Herman, Robbie, and Santosh, > > > My version of Pymol doesn't support loading of mtz files. I think it's > only in the incentive version. > > Paul wrote: "No need to do this - just export the map (or the map > fragment)." I'm not sure how to do

Re: [ccp4bb] 2Fo-Fc maps in Coot vs. Pymol

2019-09-30 Thread Chris Fage
> > Chris Fage > > Sent: Monday, September 30, 2019 14:00 > > To: CCP4BB@JISCMAIL.AC.UK > > Subject: Re: [ccp4bb] 2Fo-Fc maps in Coot vs. Pymol > > > > Dear Paul, Herman, Robbie, and Santosh, > > > > Thanks for your quick replies. > > >

Re: [ccp4bb] 2Fo-Fc maps in Coot vs. Pymol

2019-09-30 Thread Robbie Joosten
, 2019 14:00 > To: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] 2Fo-Fc maps in Coot vs. Pymol > > Dear Paul, Herman, Robbie, and Santosh, > > Thanks for your quick replies. > > The FFT-generated maps and mtz maps look roughly equivalent in Coot, but > there are minor difference

Re: [ccp4bb] 2Fo-Fc maps in Coot vs. Pymol

2019-09-30 Thread Chris Fage
Dear Paul, Herman, Robbie, and Santosh, Thanks for your quick replies. The FFT-generated maps and mtz maps look roughly equivalent in Coot, but there are minor differences even at the same e/A^3 level (the mtz maps actually look a bit weaker). I generated them using the default settings in FFT:

Re: [ccp4bb] 2Fo-Fc maps in Coot vs. Pymol

2019-09-30 Thread Robbie Joosten
Are you sure you used the right columns in FFT? AFAIK Coot uses FWT and PHWT. I thought the more recent PyMOL versions finally had MTZ support, or is this just for the incentive version? Also if it is for looking at the structure and making figures, perhaps try CCP4mg. It has proper MTZ

Re: [ccp4bb] 2Fo-Fc maps in Coot vs. Pymol

2019-09-30 Thread Paul Emsley
On 30/09/2019 11:36, Chris Fage wrote: I recently obtained structures of a protein bound to two different small molecules. When viewing the structures in Coot with a similar contour setting, the 2Fo-Fc map around ligand 1 is clearly much weaker than that around ligand 2.However, after