Pseudo atom in a cavity
Hi there,
I want to place a pseudo atom in a cavity in PyMol. There is a small opening through which a ligand can enter and I want to place a pseudo atom at the centre of this opening. Anyone did this kind of thing?
pymol
python
protein
0 answers
No answers yet.
Log in to answer this question.
More posts like this
-
Help needed to troubleshoot : conversion error with open babel on cmd
written by Sanjukta 0Hi there, I intend to split a sdf file using the following command on command prompt(Windows), and I am getting an error. obabel -isdf filename.sdf …
-
How to fix white space in PDB file so Pymol can read it properly (i.e. Pymol cannot read TSV)
written by Sam 0Hello, I have come to realize, pymol for some reason cares a lot about white spaces. Modifying the elements of a single "ATOM" line and …
-
Pymol visualisation issue
written by amoltej 10Hi, I am new to pymol and trying to analyze the protein-ligand interaction. after analysis I get the .pse file but after opening that file …
-
Molecular weight, SPDBV tool
written by ashamscsoft 2Is there any option to calculate molecular weight in SPDBV tool? There is a option in pymol tool but i cannot calculate it for complex …
-
Script to list residues within a given distance from ligand
written by miromoman 1Hello, Is anyone aware of a simple Linux program or script that provides a list of protein residues with at least one atom located at …
-
PyMol batch computing
written by tretyacv 4Hello, I have a bunch of pdb files and I need to make some computation on them. I have found a python module (http://gecco.org.chemie.uni-frankfurt.de/liquid/index.html) for …
-
Energy minimization for hydrogen atoms only
written by se.raschka 15Hi, I am looking for a tool that optimizes the hydrogen-bond positioning in a protein-ligand complex without torsional or translational changes to the ligand or …
-
How To Add Bond Between Metal Atom And Coordinated Water Molecule?
written by Alyse 0<p>Hi everyone,</p> <p>I'm new to AutoDock and I currently involved in a protein-ligand docking study. My ligand contains Cu(II) atom and a coordinated water molecule. …
-
How To Add Bond Between Metal Atom And Coordinated Water Molecule?
written by Alyse 0<p>Hi everyone, </p> <p>I'm new to AutoDock and I currently involved in a protein-ligand docking study. My ligand contains Cu(II) atom and a coordinated water …
-
Pymol- Generating Rms Value Of Different Structures
written by Thaman 333<p>Hi,</p> <p>I want to write simple python script for computing RMS deviation value between two GROUP (ligand, unligand) which have 5 STRUCTURE in each GROUP. …
There are many tools in a single link
http://www.caver.cz/index.php?sid=133
Pseudoatom:
https://pymolwiki.org/index.php/Pseudoatom
GUI-tool:
https://pymolwiki.org/index.php/Bnitools
Sticks:
https://sourceforge.net/p/pymol/mailman/message/18962925/
These tools do not place atom at the void. Pseudo atom in PyMol places this at specific coordinates or at a residue. The question is about placing the atom in void by first finding the coordinates of void.
You appear to have asked this on ResearchGate?
Has the issue been resolved?
If you already know the atoms of the opening of the cavity, then select and create a new object (obj1) from action menu. Then place a pseudoatom by