mtplr/pyMol-cookbook

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mtplr/pyMol-cookbook

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Some notes (cookbook) for pyMol. Protein Crystallography course.

blacomcalc

A simple Computational Chemistry script written in Python to calculate bond lengths, BLA value (Bond Length Alternation), center of masses (CoM), distances between center of masses and bond angles of the given molecules and bonds, starting from a standard .xyz geometry file.

topspin-to-csv

A very simple Python script to generate a normal X/Y csv file from a Bruker TopSpin® .txt file

Gnuplot-Langelier-Ludwig-diagram

Generate a Langelier-Ludwig using GNUPLOT

Fortran-non-linear-equation

Non-linear equations solver made in Fortran. It uses both Newton and bisection methods.

appunti

Alcuni comandi utili in continuo aggiornamento che mi sono appuntato durante il mio apprendimento di linux, bash shell, python, scripting e cose varie.