VMD-L Mailing List

From: Rabeta Yeasmin (rabetayeasmin_at_gmail.com)
Date: Mon Dec 18 2017 - 10:02:23 CST

Thanks very much to all of you. It worked.

Rabeta Yeasmin

On Sat, Dec 16, 2017 at 4:33 AM, Souvik Sinha <souvik.sinha893_at_gmail.com>
wrote:

> 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
>