VMD-L Mailing List

From: Souvik Sinha (souvik.sinha893_at_gmail.com)
Date: Sat Dec 16 2017 - 04:33:25 CST

Just a little modification to the previous reply:

****
puts "[veclength [vecsub [measure center $group1] [measure center
$group2]]]"

****

This will directly print the distance after your selection of atom groups.

On Sat, Dec 16, 2017 at 2:53 AM, Karteek Kumar <karthik3327_at_gmail.com>
wrote:

> Hi,
>
> You can write a small tcl script something like this.
>
> ***********
> set group1 [ atomselect top { selection }]
> set group2 [ atomselect top { selection }]
>
> set com1 [ measure center $group1 ]
> set com2 [ measure center $group2 ]
>
> set distance [ vecdist $com1 $com2 ]
>
> puts $distance
>
> ************************
>
> write it in a script and execute using Tkconsole. Or else simply type in
> the Tk console
>
> Hope this helps !!!!
>
> Karteek
>
>
> On Fri, Dec 15, 2017 at 3:39 PM, Rabeta Yeasmin <rabetayeasmin_at_gmail.com>
> wrote:
>
>> Dear VMD users,
>>
>> I am wondering if there is any way in VMD to calculate distance between
>> two groups of atoms.
>> Thanks.
>>
>> Rabeta Yeasmin
>>
>
> 

-- 
Souvik Sinha
Research Fellow
Bioinformatics Centre (SGD LAB)
Bose Institute
Contact: 033 25693275