search

RudoRoemer / PDB2MovieWeb

Web-based front- and backend for PDB2Movie scripts
GNU General Public License v3.0
1 stars 1 forks source link

move from PyMOL to VMD #28

Open RudoRoemer opened 6 years ago

RudoRoemer commented 6 years ago

For copyright and compatibility reasons, we need to move the standard renders from PyMOL to VMD

RudoRoemer commented 6 years ago

"vmd -dispdev openglpbuffer -e 2B5E.tcl" allows to run VMD without a graphical user interface as is most likely needed for the SCRTP queues.

SamMoffat commented 6 years ago

This has almost been achieved. There is now a flag to choose between vmd and PyMOL in erick's code. At the moment, it successfully renders pos and neg movements smoothly, with a brief pause between the opening and closing states.

This will be pushed to a branch i will label vmd on my GitHub, where we will discuss where it goes afterwards, be a branch on your repository or a direct push to master of your fork.

Before I push, I will fix the last issue; the camera position is closer to the protein structure on the negative movie, meaning the combi file suddenly changes it's view. This is most likely a variable set by VMD on runtime if it isn't declared. I believe this will be resolved when I add a default script for VMD to use, this may also manage colouring sections of the protein.

Due to time constraints, this won't be tested on the CoW by me but, when using opnglpbuffer, this operates very similarly to the PyMOL renderer which works fine on the old system, so I have faith that this will perform in the same manner as the current PDB2MovieWeb.