Dear Matthew,
I just tried this and it is working as expected.
This is faster than I expected.
thanks a lot for your valuable suggestion.
Regards,
Dr. Vaibhav A. Dixit,
Visiting Scientist at the Manchester Institute of Biotechnology (MIB), The
University of Manchester, 131 Princess Street, Manchester M1 7DN, UK.
AND
Assistant Professor,
Department of Pharmacy,
▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄
Birla Institute of Technology and Sciences Pilani (BITS-Pilani),
VidyaVihar Campus, street number 41, Pilani, Rajasthan 333031.
India.
Phone No. +91 1596 255652, Mob. No. +91-7709129400,
Email: vaibhav.dixit.pilani.bits-pilani.ac.in, vaibhavadixit.gmail.com
http://www.bits-pilani.ac.in/pilani/vaibhavdixit/profile
https://www.linkedin.com/in/vaibhav-dixit-b1a07a39/
ORCID ID: https://orcid.org/0000-0003-4015-2941
NCBI bibliography:
https://www.ncbi.nlm.nih.gov/myncbi/1Jgo56b26_AYKd/bibliography/public/
http://scholar.google.co.in/citations?user=X876BKcAAAAJ&hl=en&oi=sra
P Please consider the environment before printing this e-mail
On Fri, Jul 30, 2021 at 8:05 PM Matthew Guberman-Pfeffer <
matthew.guberman-pfeffer.uconn.edu> wrote:
> Hello Vaibhav,
>
> >
> > Can you please suggest which tools can be used to create selected mutants
> > automatically (via command-line) which can then be used in tleap to
> > generate files for MD and subsequently analysis?
>
>
> I think you’ll find a script for the Modeller program very useful:
> https://salilab.org/modeller/wiki/Mutate%20model <
> https://salilab.org/modeller/wiki/Mutate%20model>.
> I had a similar question over a year ago for a high-throughput mutagenesis
> project and this solution worked quite nicely.
>
> Best,
> Matthew
>
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Received on Fri Jul 30 2021 - 08:30:02 PDT
