VMD-L Mailing List

From: Edward J. Smiley Jr. (smiley_at_chem.psu.edu)
Date: Tue May 04 2004 - 15:25:50 CDT

Hello all,
        I am having some trouble trying to figure out how to color with this
new user field. I have an xyz file (well, xmol actually) that is made
up of numerous frames with the following format.

> 530590
> Time = 0
> C9 166.23 164.11 6.53 1.00
> C9 167.14 163.06 6.96 1.00
> etc. to line 530592
> 530590
> Time = 1
> C9 166.23 164.11 6.53 1.00
> C9 167.14 163.06 6.96 0.00
> etc.

The last column represents the direction of the atom. If it is a 1
then it is moving down, if it is a 0 then it is not moving or moving
up. I have tried to figure out where this last column is put when VMD
"converts" it from an XYZ. The user field only lists 0.00 and no other
field list 1and 0. How does VMD handle a xyz file, does it convert it
to a PDB somehow or just read it straight?

You guys have a great program here!
Thanks for any help,
Ed Smiley