Remove Water Option in PyRx

Python Prescription - Virtual Screening Tool

[PyRx is no longer developed at MGL]

Moderator: sargis

Forum rules
[PyRx is no longer developed at MGL]

Remove Water Option in PyRx

Postby Shirley » Thu Nov 05, 2015 5:44 pm

Hi,

I am using PyRx version 0.8 and windows 8 (OS). I have watched the video regard the PyRx. However, i have some issue want to have answer or some help. Is there any "remove water molecules option" in PyRx? How to remove it in PyRx? As i want to remove water molecules for my target protein (PDB file). My situation is my PDB file only show the amino acid residues but i cannot find any remove water option in PyRx (shown at the attached folder). Is there any way that can remove water molecules? Can kindly help solve my problem according to my situation? Thank you very much :)

regards,
Shirley
Attachments
protein.PNG
protein.PNG (19.41 KiB) Viewed 1650 times
User avatar
Shirley
Millimolar User
Millimolar User
 
Posts: 6
Joined: Wed Nov 04, 2015 8:36 am

Re: Remove Water Option in PyRx

Postby Shirley » Thu Nov 12, 2015 12:35 am

HI, is there anyone can tell me is PyRx can remove water molecules for target protein? If got this option, can you kindly tell me how to remove?
Thank you :)
User avatar
Shirley
Millimolar User
Millimolar User
 
Posts: 6
Joined: Wed Nov 04, 2015 8:36 am


Return to PyRx

Who is online

Users browsing this forum: No registered users and 2 guests

cron