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Raúl Mera A.'s Projects

fopbo icon fopbo

A bond order indicator for big systems.

giba icon giba

GImic for Bond Analysis

goanalyze icon goanalyze

goAnalyze provides structural and dynamical analysis capabilities to PyMOL

gochem icon gochem

A library for Computational Chemistry in the Go programming language

gomd icon gomd

Simple command-line program for MD trajectory analysis

gopymol icon gopymol

A framework to code PyMOL plugins in Go using goChem.

ncipy icon ncipy

A tiny script for displaying Nciplot surfaces in PyMOL

pqmt icon pqmt

A script to connect third-party QM programs to the pDynamo QMMM Python library

pythontut icon pythontut

Pequeno tutorial de Python basico, en castellano, en forma de Jupyter notebook

qdgt icon qdgt

The Quick and Dirty GROMACS-TURBOMOLE interface.

qdta icon qdta

A PyMOL script for quick MD trajectory analysis

red2gmx icon red2gmx

Automated creation of a Gromacs topology/coordinates from Reduce-protonated structures

ree icon ree

Replica Exchange Engine

scu icon scu

A small set of tools that used to belong to gochem.

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