PyMol on Linux without Conda

A wee note about installing PyMol on Linux for Python3 without Conda.

Phosphorylated PDB files

Sometime in human protein, a residue is phosphorylated, yet the model one gets from I-TASSER, Phyre etc. or the actual PDB structure lacks these. Here is how to add them easily and quickly with Rosetta.

A failsafe decorator for a python class

Often a Python class may have lots of bound methods that may fail, but it is not really a problem. Here I present a tidy way to deal with catching the errors with a decorator.

How to deal with horridly complex dictionaries in Python

NCBI and Uniprot data is complex, so is understandably stored as byzantine data structures, which have rather consistent schema, but hard to decipher. Depending on workflow, XML files are can be stored as dictionaries or as ElementTree.Element instances. I will talk about both, here I will talk about dictionaries —elsewhere I discuss using ElementTree. These are easier to deal with in some cases, but you can spend ages trying to find the series of keys and indices required to find a given value.
Here I present a nice pair of Python methods to get a given key or value in a convoluted object of nested dictionary-like and list-like objects.

Python website on a shoestring budget, a tutorial

If you have a Python script you want to make into a website yet want to do it for a cheap as possible, it may seem like an impossible cause. But it isn't. Three options are possible:

1. use a free service
2. use a grant-based service
3. run a server at home on a Raspberry Pi

Each have their merits, but the latter more so. Hence, why this tutorial is dedicated to showing you how to do it.

Everything you wanted to know about isopeptide bonds in Rosetta, but were too afraid to ask

Rosetta is great at predicting (with some accuracy) the energies of variant proteins, however, to make the most out of it with proteins with internal isopeptide bonds a few considerations are needed.

PCR distribution

The distribution of mutations in an error prone library has been modelled in Sun (1995) based on the underlying principle of a PCR reaction. In the paper it is found that the distribution becomes more and more similar to a regular Possion and the two are virtually the same after 10 cycles. However, given that one most likely does not know what one's PCR efficiency is, using this formula may be dangerous. Whereas in reality getting a better estimate of the mean number of mutations may be more helpful.