VMD-L Mailing List
From: Tristan Croll (tristan.croll_at_qut.edu.au)
Date: Thu Dec 04 2014 - 22:46:08 CST
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If you’re only doing this for one trajectory at a time, why not simply change to the working directory in TkConsole, and use “./” for the directory in your script?
From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf Of Mohammad Khalkhali
Sent: Friday, 5 December 2014 1:04 PM
To: Cun Zhang
Cc: vmd-l_at_ks.uiuc.edu
Subject: Re: vmd-l: How can I get the path of the TOP molecule in the tcl console?
Exactly! What I need is something that just show "test/". I need the path of the directory of the top file. There should be some easy way to do this instead of manipulating "molinfo top get filename" output.
On Thu, Dec 4, 2014 at 7:58 PM, Cun Zhang <apzc2529_at_gmail.com<mailto:apzc2529_at_gmail.com>> wrote:
Here is my output:
cunzhang_at_Debian:~$ vmd test/test.pdb test/test.xtc
>molinfo top get filename
{test/test.pdb test/test.xtc}
BTW: Please cc to vmd-l_at_ks.uiuc.edu<mailto:vmd-l_at_ks.uiuc.edu> when you reply.
On Fri, Dec 5, 2014 at 10:43 AM, Mohammad Khalkhali <khalkhal_at_ualberta.ca<mailto:khalkhal_at_ualberta.ca>> wrote:
Hi Cun,
I tried this. This gives the file name what i need is the path of the file.
Cheers!
MK
On Thu, Dec 4, 2014 at 7:20 PM, Cun Zhang <apzc2529_at_gmail.com<mailto:apzc2529_at_gmail.com>> wrote:
Try command "molinfo top get filename"
On Fri, Dec 5, 2014 at 9:25 AM, Mohammad Khalkhali <khalkhal_at_ualberta.ca<mailto:khalkhal_at_ualberta.ca>> wrote:
Dear VMD community:
I wonder if anyone knows how how I can get the path of a loaded trajectory in the TCL console. I have a tcl code which changes some of atoms' properties in the loaded trajectory dynamically and then I used these properties to color my molecules. This code reads a data file which is in the same directory the trajectory file directory. I have to change the path in my tcl code manually every time I load a new trajectory file. If I can get the path of TOP molecule somehow, I won't have to change the path of the data file each time. I would appreciate it if you would help me with this.
Cheer!
MK.
--
Please consider the environment before printing this email
Mohammad Khalkhali (MK)
PhD Candidate
Department of Chemical and Materials Engineering
University of Alberta
11421 - Saskatchewan Drive
The National Institute for Nanotechnology (NINT) Building
Edmonton, AB T6G 2M9
Office Number: 5-08
Tel: (780) 492-8775<tel:%28780%29%20492-8775>
khalkhal_at_ualberta.ca<mailto:khalkhal_at_ualberta.ca>
[https://static.licdn.com/scds/common/u/img/webpromo/btn_profile_greytxt_80x15.png]<https://www.linkedin.com/pub/mohammad-khalkhali/48/514/656>
--
========================================
Cun Zhang
Ph.D. Candidate
LNM,Institute of Mechanics
Chinese Academy of Sciences
Beijing, 100190, China
Tel:86-10-82544204
========================================
--
Please consider the environment before printing this email
Mohammad Khalkhali (MK)
PhD Candidate
Department of Chemical and Materials Engineering
University of Alberta
11421 - Saskatchewan Drive
The National Institute for Nanotechnology (NINT) Building
Edmonton, AB T6G 2M9
Office Number: 5-08
Tel: (780) 492-8775<tel:%28780%29%20492-8775>
khalkhal_at_ualberta.ca<mailto:khalkhal_at_ualberta.ca>
[https://static.licdn.com/scds/common/u/img/webpromo/btn_profile_greytxt_80x15.png]<https://www.linkedin.com/pub/mohammad-khalkhali/48/514/656>
--
========================================
Cun Zhang
Ph.D. Candidate
LNM,Institute of Mechanics
Chinese Academy of Sciences
Beijing, 100190, China
Tel:86-10-82544204
========================================
--
Please consider the environment before printing this email
Mohammad Khalkhali (MK)
PhD Candidate
Department of Chemical and Materials Engineering
University of Alberta
11421 - Saskatchewan Drive
The National Institute for Nanotechnology (NINT) Building
Edmonton, AB T6G 2M9
Office Number: 5-08
Tel: (780) 492-8775
khalkhal_at_ualberta.ca<mailto:khalkhal_at_ualberta.ca>
[https://static.licdn.com/scds/common/u/img/webpromo/btn_profile_greytxt_80x15.png]<https://www.linkedin.com/pub/mohammad-khalkhali/48/514/656>
- Next message: Sujata Roy: "Problem with 'measure energy elect' command in VMD"
- Previous message: Ashar Malik: "Fwd: How can I get the path of the TOP molecule in the tcl console?"
- In reply to: Mohammad Khalkhali: "Re: How can I get the path of the TOP molecule in the tcl console?"
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- Reply: Mayne, Christopher G: "Re: How can I get the path of the TOP molecule in the tcl console?"
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