VMD-L Mailing List

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Mon May 27 2019 - 10:05:02 CDT

• Next message: Takeru KAMEDA: "Re: psfgen problems of many segment complex"
• Previous message: Ashar Malik: "Re: Get number of fragments"
• In reply to: MD Simulation: "Get number of fragments"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

You should try getting the fragment IDs from a selection and count them in
Tcl:

set all [atomselect top "all"]
llength [lsort -unique -integer [${all} get fragment]]

On Mon, May 27, 2019 at 7:22 AM MD Simulation <mdsimulationgroup_at_gmail.com>
wrote:

> Hello,
>
> I'm having some trouble figuring out how to get the number of fragments in
> a TCL script. Is this some mol or molinfo can handle?
>
> Thanks for the help!
> Stacey
>

-- 
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD
http://goo.gl/Q3TBQU
https://github.com/giacomofiorin

• Next message: Takeru KAMEDA: "Re: psfgen problems of many segment complex"
• Previous message: Ashar Malik: "Re: Get number of fragments"
• In reply to: MD Simulation: "Get number of fragments"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]