Glad it did what you needed! —Eric
On Jan 24, 2019, at 11:29 AM, Brian E Coggins <bec2@duke.edu> wrote:
Eric,
Hack or not, this does the job perfectly! Many thanks.
Brian
On Jan 23, 2019, at 6:36 PM, Eric Pettersen <pett@cgl.ucsf.edu <mailto:pett@cgl.ucsf.edu>> wrote:
Hi Brian, It seems the vdw command caches the computed surface points and that therefore various tricks with ~vdw/vdw don’t update the surface. However changing the dot density does clear the cache and cause a recomputation, so you can use this awful hack to get the vdw surface to update as you adjust torsions:
perframe “vdwdens 5.1; vdwdens 5”
Every frame, the density will be changed to 5.1 and then back to the (default) 5. You might want to use different numbers. I prefer not to be “credited” with this idea. :-)
not Eric Pettersen not from the UCSF Computer Graphics Lab
On Jan 23, 2019, at 3:14 PM, Elaine Meng <meng@cgl.ucsf.edu <mailto:meng@cgl.ucsf.edu>> wrote:
Hi Brian, This is not a direct answer to your question, but alternatives to showing VDW dots are:
(A) show sphere representation (VDW spheres) instead of stick representation of atoms
(B) show molecular surface, which will update as bonds are rotated. You could make it transparent and/or show it as mesh, e.g. commands:
surftrans 75 surftrans 0 surfrep mesh
There is also a “dot” style (as opposed to mesh and solid) but then you’d want to crank up the vertex density to put the dots closer together… e.g. select the surface with Ctrl-click and then use the Selection Inspector (open by clicking green magnifying glass icon), inspect: MSMS surface, increase “vertex density” and maybe dot size.
Depending on the structure, however, molecular surface calculation may be slow and/or fail as you change the structure by rotating bonds.
I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Jan 23, 2019, at 1:29 PM, Brian E Coggins <bec2@duke.edu <mailto:bec2@duke.edu>> wrote:
Hello,
If I am displaying atomic dots using the “vdw” command, is there any way to get the dots to update as structural changes are made? For example, if I am adjusting torsions in the Adjust Torsion box, is there a way to get the dots to follow along as the structure changes?
Thanks, Brian
--- Brian E. Coggins, Ph.D. Assistant Research Professor of Biochemistry Duke University, Durham, NC
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--- Brian E. Coggins, Ph.D. Assistant Research Professor of Biochemistry Duke University, Durham, NC