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Username    andriopau
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19 projects

biobb-gromacs

Last released

biobb_gromacs is the Biobb module collection to perform molecular dynamics simulations.

biobb-pmx

Last released

Biobb_pmx is the Biobb module collection to perform PMX (http://pmx.mpibpc.mpg.de) executions.

biobb-model

Last released

Biobb_model is the Biobb module collection to check and model 3d structures, create mutations or reconstruct missing atoms.

biobb-cmip

Last released

biobb_cmip is the Biobb module collection to compute classical molecular interaction potentials.

biobb-structure-utils

Last released

biobb_structure_utils is the Biobb module collection to perform basic manipulations on 3d structures.

biobb-structure-checking

Last released

BioBB_structure_checking performs MDWeb structure checking tool set as a command line utility.

biobb-analysis

Last released

Biobb_analysis is the Biobb module collection to perform analysis of molecular dynamics simulations.

biobb-io

Last released

Biobb_io is the Biobb module collection to fetch data to be consumed by the rest of the Biobb building blocks.

biobb-chemistry

Last released

Biobb_chemistry is the Biobb module collection to perform chemistry over molecular dynamics simulations.

biobb-amber

Last released

Biobb_amber is a BioBB category for AMBER MD package.

biobb-common

Last released

Biobb_common is the base package required to use the biobb packages.

pmx-biobb

Last released

Toolkit for free-energy calculation setup/analysis and biomolecular structure handling

biobb-adapters

Last released

Biobb_adapters is the Biobb module collection to use the building blocks with several workflow managers.

biobb-md

Last released

Deprecated Package: biobb_md is no longer maintained and has been superseded by the biobb_gromacs package. Biobb_md is the Biobb module collection to perform molecular dynamics simulations.

biobb-remote

Last released

Biobb_remote is the Biobb module for remote execution via ssl.

pypcazip

Last released

PCA-based molecular dynamics trajectory file compression and analysis.

biobb-structure-manager

Last released

BioBB_structure_manager is a library to efficiently load and process biomolecular 3D structures.

biobb

Last released

Biobb module collection.

biobb-wf-mutations

Last released

Lysozyme + Mutations workflow built using BioBB Based on the official Gromacs tutorial: http://www.mdtutorials.com/gmx/lysozyme/01_pdb2gmx.html

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