VMD-L Mailing List

From: Heather Mayes (hmayes_at_hmayes.com)
Date: Tue May 01 2012 - 17:18:41 CDT

Thank you very much for your quick response!

> you'd have to provide more details and references. question is:
> do you mean "VMD doesn't work correctly" or simply
> "i couldn't figure out how to do it".

I am not sure it if it operator error (me) or VMD (see below).

> you can write a custom file loading procedure
> and then call it manually from the prompt. or
> write a little Tk GUI. i should have a template
> for the latter somewhere that can be added
> to .vmdrc. from there on it is only a matter of
> filling in the rest.

I tried a couple things. The one I thought would be successful was
copying the sample in a cpmd-vmd tutorial (below) and putting it in my
vim.rc (I'm using Windows). I saved and reopened VMD and then a
molecule the result was a null result: the same display behavior
(default lines) as if I had not added anything to my vim.rc. I have
successfully made other changes to my vim.rc which do show a
different display, such as adding the line "mol default style {VDW 0.3
15}".

# delete the default visualization and create another one
proc my_def_viz {args} {
   lassign $args fname molid
   mol delrep 0 $molid
   mol color Type
   mol representation CPK 1.000000 0.300000 19.000000 16.000000
   mol addrep $molid
}
# add 'default visualization' hack for the first three molecules.
trace variable vmd_read_trajectory(0) w my_def_viz
trace variable vmd_read_trajectory(1) w my_def_viz
trace variable vmd_read_trajectory(2) w my_def_viz

Does this look like it should work? As I said, it did not for me.

Thank you,
-Heather