Saturday 18 February 2023

Swapped university logo colour generator

Like many in academia I have moved across a few universities, each with their own colours, blue, gold, grey (I think) and even pine green (yes, like John Deer merch). Universities are quite possessive of their logos and have guidelines on their 'brand identity', which feels alien to academia as we are used to logos for tools being made in PowerPoint if they even have one. One thing that is frowned upon is changing the colours. But the fondness for ones former and present affiliations should not stand in the way. Luckily I have written a JS tool to help you swap the colours!

Sunday 5 February 2023

Reading a mmCIF from PyMOL in PyRosetta

The mmCIF (PDBx as in extended PDB) format is meant to replace PDB format. Soon the RCSB PDB will have to adopt 4-letter codes for novel chemical components, which will break the PDB format. PDBx format is space separate as opposed to the really annoying column position in the PDB format and in the PDBx format the metadata can be stored in a nearly sensible manner. However, PDBx is solely a deposition format, but it is not really used as analysis format regardless of what the PDB claims. I personally had to add support for it because a reviewer asked me to. This lack of adoption is often attributed to the "if it ain't broken don't fix it" principle. Although I personally would argue that it may due to how it's implemented: opening a PDBx from one program ought to work in another, but this is not often the case. An example of this is PyMOL files read in PyRosetta.