Visualizing negative volume as in CastP

Hello everyone, I am trying to visualize cavities from a protein I am currently working on. Therefore I calculated the cavities volume using CastP. I then import the obtained files into chimera. Unfortunately CastP visualizes the cavities as a negative volume of the solvent accessible area. Chimera on the other hand only shows the surface. So is there a way to also visualize the negative volume in Chimara just like in CastP ? Thanks in advance! All the best, Chris

Hi Chris, If you mean that CastP shows enclosed blobs which are different surfaces than the patches of molecular surface shown by Chimera, sorry no, Chimera does not show those other blob surfaces (I believe they are not included in the CastP data that Chimera reads). Alternatives to display closed surfaces of pocket volumes might be showing results from the 3Vee server or MOLEonline server in Chimera. <http://3vee.molmovdb.org/> <https://mole.upol.cz/> Recently we also added the ability to show MOLEonline results to ChimeraX version 1.5 and higher: <https://www.rbvi.ucsf.edu/chimerax/features.html#mole-channels> Best, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Nov 23, 2022, at 4:47 AM, Neelen, Christopher via Chimera-users <chimera-users@cgl.ucsf.edu> wrote:
Hello everyone,
I am trying to visualize cavities from a protein I am currently working on. Therefore I calculated the cavities volume using CastP. I then import the obtained files into chimera. Unfortunately CastP visualizes the cavities as a negative volume of the solvent accessible area. Chimera on the other hand only shows the surface. So is there a way to also visualize the negative volume in Chimara just like in CastP ?
Thanks in advance!
All the best,
Chris

Hi Elaine, Thank you very much ! Best, Chris -----Ursprüngliche Nachricht----- Von: Elaine Meng <meng@cgl.ucsf.edu> Gesendet: Mittwoch, 23. November 2022 17:50 An: Neelen, Christopher <Christopher.Neelen-2@vetmed.uni-giessen.de> Cc: chimera-users@cgl.ucsf.edu Betreff: Re: [Chimera-users] Visualizing negative volume as in CastP Hi Chris, If you mean that CastP shows enclosed blobs which are different surfaces than the patches of molecular surface shown by Chimera, sorry no, Chimera does not show those other blob surfaces (I believe they are not included in the CastP data that Chimera reads). Alternatives to display closed surfaces of pocket volumes might be showing results from the 3Vee server or MOLEonline server in Chimera. <http://3vee.molmovdb.org/> <https://mole.upol.cz/> Recently we also added the ability to show MOLEonline results to ChimeraX version 1.5 and higher: <https://www.rbvi.ucsf.edu/chimerax/features.html#mole-channels> Best, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Nov 23, 2022, at 4:47 AM, Neelen, Christopher via Chimera-users <chimera-users@cgl.ucsf.edu> wrote:
Hello everyone,
I am trying to visualize cavities from a protein I am currently working on. Therefore I calculated the cavities volume using CastP. I then import the obtained files into chimera. Unfortunately CastP visualizes the cavities as a negative volume of the solvent accessible area. Chimera on the other hand only shows the surface. So is there a way to also visualize the negative volume in Chimara just like in CastP ?
Thanks in advance!
All the best,
Chris
participants (2)
-
Elaine Meng
-
Neelen, Christopher