VMD-L Mailing List

From: Jeff Saxon (jmsstarlight_at_gmail.com)
Date: Sat Nov 07 2020 - 07:18:23 CST

Great, thank you a lot!,
I have already done it by means of Prody package but not would like to
switch entirely to VMD since I found it friendly !

сб, 7 нояб. 2020 г. в 12:37, Roshan Shrestha <roshanpra_at_gmail.com>:
>
> Hi,
> You can yourself write it yourself using MDAnalysis package.
>
> With best regards
>
> On Sat, 7 Nov 2020, 17:08 Jeff Saxon, <jmsstarlight_at_gmail.com> wrote:
>>
>> Dear All,
>> I am looking for some python solution, which could be used with vmd
>> python modules to
>> - load a multi-model pdb file (or better load all multi-model pdbs
>> from the directory and combine them together)
>> - perform clusterization for this ensemble by RMSD using atomic
>> selection from pdb (e.g. centre of mass)
>> -write some simple clustering diagram as output.
>>
>> I would be grateful if someone share template of the python script,
>> which could be further customized.
>> Cheers,
>> J.
>>