Hi Shabih, There is no ESP calculation tool or interface in ChimeraX, but you can open a pre-existing .phi file (from DelPhi academic or GRASP), .grd file (from UHBD), or .dx file (from APBS) e.g. to use it to color a molecular surface by map values. ChimeraX input map formats: <http://rbvi.ucsf.edu/chimerax/docs/user/commands/open.html#volume> Regards, Elaine
On Apr 17, 2018, at 11:47 AM, Shabih Shakeel <sshakeel@mrc-lmb.cam.ac.uk> wrote:
Hi Elaine,
Thanks a lot for the information. Is it possible to calculate electrostatic potential within ChimeraX or load Delhpi files?
Thanks.
Regards, Shabih
On 17 Apr 2018, at 16:22, Elaine Meng <meng@cgl.ucsf.edu> wrote:
Hi Shabih, Sorry, not yet. There is coloring by map value and by zone (to match nearby atoms or markers), but coloring by distance (radial, topographic height) is not yet implemented in ChimeraX. <http://rbvi.ucsf.edu/chimerax/docs/user/commands/color.html>
Regards, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Apr 17, 2018, at 4:35 AM, Shabih Shakeel <sshakeel@mrc-lmb.cam.ac.uk> wrote:
Hi, In ChimeraX, is there an equivalent of surface colour by radius in tools/Volume viewer of Chimera? I would like to colour an EM density map of a virus from its centre to the outside of the capsid with direct colour range in ChimeraX. Thanks. Regards, Shabih
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