mikicanyelles

gtd

Python program for storing and tracking To-Do's from a database

how-to

mikicanyelles

PhDtools

Set of functions and scripts useful for developing the PhD work

pyloxr_old

pymol-cp2k-qmmm

PyMol script to generate/load part of the &QMMM section of CP2K input

pyMSMT

scripts_random

AMBER_parameters

Repository for placing parameters and charges files (frcmod and mol2) of substrates used in our lab. All available files are distributed into folders depending on if they correspond to an enzyme, substrate or the combination of both from a docking simulation.

EMDA

Python package for easy analysis of MD simulations based on MDAnalysis.

mikicanyelles/gtd

Python program for storing and tracking To-Do's from a database

mikicanyelles/how-to

mikicanyelles/mikicanyelles

mikicanyelles/PhDtools

Set of functions and scripts useful for developing the PhD work

mikicanyelles/pyloxr_old

mikicanyelles/pymol-cp2k-qmmm

PyMol script to generate/load part of the &QMMM section of CP2K input

mikicanyelles/pyMSMT

mikicanyelles/pyPSN

mikicanyelles/scripts_random

mikicanyelles/pymsmt_old

Python Metal Site Modeling Toolbox

mikicanyelles/RPi_alarm

mikicanyelles/scripts_for_hpc_servers

mikicanyelles/Seminario

Tool to compute bond and angle force field parameters with the Seminario method

mikicanyelles/tools

Repo for storing general tools (written in Python) for things such as plotting.