Multiwfn forum

saeed_E

Member

Registered: 2019-12-21

Posts: 244

Regarding your highly valuable VMD script you kindly introduced me.

Dear Tian,
You mentioned that a script should be executed in the command windows. Please let me know you mean that I should copy all lines of this script into a text file, then change the prefix to sh and change permission to "x" and finally ran it in the main window of VMD. Is it correct? Could you please make me guide; I am so poor in Linux.

Sincerely,
Saeed

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

Website

Re: Regarding your highly valuable VMD script you kindly introduced me.

Dear Saeed,

There are two ways of running VMD script, they are equivalent:
(1) Directly copy all content from the script to VMD console window
(2) Run "source /aaa/bbb.tcl" in VMD console window, where /aaa/bbb.tcl denotes the actual path of the script file.

Best,

Tian

saeed_E

Member

Registered: 2019-12-21

Posts: 244

Re: Regarding your highly valuable VMD script you kindly introduced me.

Dear Tian,
Thank you very very much, my nice friend.
I examined both approaches you mentioned, while the first does not work, the second does not reflect any output. Indeed, I included all commands of your script in a text files namely "numbering.tcl" and, when I use "source /home/saeed/VMD/numbering.tcl" in the VMD console, nothing is happened; that is, no atomic numbers is shown!
I would be highly grateful if you kindly guide me.

Sincerely,
Saeed

Last edited by saeed_E (2024-06-29 07:29:41)

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

Website

Re: Regarding your highly valuable VMD script you kindly introduced me.

Dear Saeed,

That script in http://sobereva.com/197 just defined a user-defined command "atmlab", if you do not run this command, nothing will happen. As described in this article, if you run e.g. "atmlab all 3", then labels of all atoms of the system with ID=3 will be shown.

Tian

saeed_E

Member

Registered: 2019-12-21

Posts: 244

Re: Regarding your highly valuable VMD script you kindly introduced me.

Dear Tian,
Thank you very very much my nice friend.
While my problem is still not resolve and I am completely confused, I am extremely ashamed of you so that I do not intend to take your valuable time more on this topic. Many many thanks for your kind attention.

Sincerely,
Saeed