structural distance script

[tylernstarr]

@wsdewitt my udpates to the pipeline are integrated now. Can you please add your script that generates the ligand-distance of each residue? (Does whatever package you're using also have an easy way to calculate relative solvent accessibility? If so, I might be interested in that too.... it can be a pain to calculate though so if there's not a native function don't sweat it)

It would be great if you could do several other things to enable me to easily integrate into pipeline:

• reference important input and output files via the config.yaml file. For example, I already have config['pdb'] reference to the pdb file in the ./data subdir. It would be good if in your script you read in from config instead of hardcoding the pdb path, so that if we update the pdb it all just 'works'
• similarly, if whatever output csv you generate (and subdir within the ./results folder) could be referenced in your script via config pointers, and you can add them to the config
• I'll check the packages loaded at the beginning of the script to make sure they're present in the conda environment I currently build in this repo so it's all squeaky clean
  thank you!

[wsdewitt]

@tylernstarr I haven't gotten to this yet, but just wanted to mention I was thinking similarly about looking at how solvent proximity and expression/polyspecificity mutation effects might be related. I bookmarked this ResidueDepth biopython module, and will plan to try it out if you think this is a good direction.