VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Jan 06 2012 - 12:44:15 CST

2012/1/6 JhonY. I. <yijhon_at_hotmail.com>:
> In VMD 1.9, I'd like to assign "user" values to atom color but It seems that
> this item name is omitted in color category list.
> How can I change color to this item in VMD 1.9?

nonsense. the User colorization still exists as:
Trajectory->User->User
Trajectory->User->User2
Trajectory->User->User3
Trajectory->User->User4

have a look at the documentation

> In addition, If I want to load this user-define values from "i"th column in
> the data file named by "a.dat" where the number of rows is the same with the
> number of atoms, would you let me "what shell commands" I should type in
> the command line of VMD in detail, please?

this is mostly a Tcl (or Python) problem.
please read the VMD user's guide thoroughly and teach
yourself a little Tcl (Python) from the corresponding tutorials.

some examples for similar advanced VMD scripting (using Tcl)
are in this (rather old) tutorial.
http://sites.google.com/site/akohlmey/redirect/cpmd-vmd.pdf?attredirects=0&d=1

axel.

>
> Many thanks for your answer in advance.
>
> Regards,
>
>   Young
>
> 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science and Technology
Temple University, Philadelphia PA, USA.