José Fernando Ruggiero Bachega's repositories
gtkdynamo2
EasyHybrid - GTKDynamo is free/open source interface designed to facilitate determining reaction pathways in biological systems, specially using hybrid QC/MM (or QM/MM) methods.
EasyHybrid3
EasyHybrid3, a pDynamo graphical environment.
EasyHybrid3_old
EasyHybrid - QM/MM Hydrid simulations with pDynamo
adtVinaFR
Applying the flexible receiver concept to molecular docking routines using AUTODOCK VINA
ExamplesEasyHybrid
Examples of enzymatic reactions modeled by hybrid potentials QM / MM using pDynamo / EasyHybrid computational tools
pMopac
PyMOL/Python and MOPAC2016 interface
MastersGUI
A MASTERS graphical interface using GTK / Matplotlib and PyMOL
MastersGUI2
A new masters GUI
pBoltzmann
Python script to generate Maxwell-Boltzmann Distributions.
pMD
simple python MD program
VisMol
VisMol is a python library for molecule visualization and molecular modeling/computational chemistry.