Pinned Repositories
adtVinaFR
Applying the flexible receiver concept to molecular docking routines using AUTODOCK VINA
AmberToolsGUI
EasyDock
EasyHybrid3
EasyHybrid3, a pDynamo graphical environment.
EasyHybrid3_old
EasyHybrid - QM/MM Hydrid simulations with pDynamo
EasyMass
ExamplesEasyHybrid
Examples of enzymatic reactions modeled by hybrid potentials QM / MM using pDynamo / EasyHybrid computational tools
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.
pepdice3
pMopac
PyMOL/Python and MOPAC2016 interface
ferbachega's Repositories
ferbachega/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.
ferbachega/EasyHybrid3
EasyHybrid3, a pDynamo graphical environment.
ferbachega/EasyHybrid3_old
EasyHybrid - QM/MM Hydrid simulations with pDynamo
ferbachega/ExamplesEasyHybrid
Examples of enzymatic reactions modeled by hybrid potentials QM / MM using pDynamo / EasyHybrid computational tools
ferbachega/pepdice3
ferbachega/adtVinaFR
Applying the flexible receiver concept to molecular docking routines using AUTODOCK VINA
ferbachega/AmberToolsGUI
ferbachega/EasyDock
ferbachega/EasyMass
ferbachega/pMopac
PyMOL/Python and MOPAC2016 interface
ferbachega/MastersGUI
A MASTERS graphical interface using GTK / Matplotlib and PyMOL
ferbachega/MastersGUI2
A new masters GUI
ferbachega/MDPSR
ferbachega/orca_scripts
ferbachega/pBoltzmann
Python script to generate Maxwell-Boltzmann Distributions.
ferbachega/pdbtools
Just simple scripts to renme/modify proteins data bank files
ferbachega/pepdice
ferbachega/pMD
simple python MD program
ferbachega/VisMol
VisMol is a python library for molecule visualization and molecular modeling/computational chemistry.