sbembenek18

[CentOS] Doesn't open after successful install

3

I follow the instructions and the install does work and it even includes the icon in applications menu, but when I try to fire it up, it just hangs.

Similarity Tool

9

While I am able to successfully use the similarity tool over a range of small molecules, when going beyond a grid size of 65 (for the input DX files), for...

psize.py

3

When using psize.py with my PQR file (psize.py myfile.pqr) it gives: **No ATOM entires in file!** However, when I use the Pymol plugin with the same PQR and the .mol...

Cube to/from DX File conversion

7

I'd like to be able to convert between Gaussian Cube File format and DX File format

Setting a High Force Constant for Constrain Option Causes Issues

2

When using the constrain option via the .inp file, I find that having a very high force constant (force constant=100.0) results in the erratic movement of those atoms that are...

Doesn't work under RHEL 8.10 Gnome Version 3.32.2

3

I wasn't able to get this wot work Doesn't under RHEL 8.10 Gnome Version 3.32.2 The drop down option does not appear in the menu.

Set surface_quality command not multi-threading

2

I know Pymol will run certain commands in parallel/multi-thread (e.g. ray tracing). I'm wondering if the command: can 'set surface_quality' can be handled this way. For example, if you're looking...