Search Results for "gromacs"
Sort By:
Showing 5 open source projects for "gromacs"
View related business solutions-
Workspace management made easy, fast and affordable.The way we work has changed and Clearooms puts you in complete control of your hybrid workspace. Both meeting rooms and hot desk booking can be easily managed to ensure flexible and safe working, however big or small your organisation.
-
Create and manage the email signature you needWith WiseStamp it’s easy to unify your brand and turn your emails into a powerful marketing tool. Get the most out of your emails with a professionally designed custom email signature.
-
1
GromacsProSuite
Graphical User Interface for Gromacs
This tool is an integrated graphical interface that simplifies molecular dynamics simulations using Gromacs. It provides a structured, tab-based environment to set up, execute, and analyze simulations data without complex command-line operations. The software automates tasks such as topology generation, solvation, ion addition, minimization, equilibration, and production runs while executing GROMACS commands in the background. Built-in monitoring tracks CPU, RAM, and disk usage to ensure stable performance during parallel processing. ... -
2
ERmod
Approximate solvation free energy calculator
...The program allows users to calculate the solvation free energy to arbitrary solvents, including inhomogeneous systems, and can run in cooperation with state-of-art molecular simulation software, such as LAMMPS, GROMACS and/or AMBER. -
3
ProtPOS
Prediction of PROTtein Preferred Orientation on a Surface
...Each successful run returns the lowest energy orientation of the protein on the surface in PDB format, which is readily used for MD simulations. ProtPOS is implemented in Python, making use of the PyMOL library for generating protein conformations and calling GROMACS externally to calculate protein-surface interaction energies. https://cbbio.online/software/protpos/ -
4
eSBMTools
python tools for enhanced native structure-based modeling
eSBMTools: python tools that assist the setup and evaluation of native structure-based simulations of proteins and nucleic acids, both at the Cα and all-atom level. The tools interface with GROMACS and support its standard output formats. Information from other sources like bioinformatics or experimental data can be added to the standard native structure-based model (SBM). Publication to be cited: Benjamin Lutz, Claude Sinner, Geertje Heuermann, Abhinav Verma, and Alexander Schug. eSBMTools 1.0: enhanced native structure-based modeling tools. ... -
PageDNA: Web-to-Print eCommerce SoftwarePageDNA enables successful eCommerce strategies for commercial print sales organizations, internal print shops, and brand owners. PageDNA’s online ordering platform increases print volume while decreasing touch costs for all stakeholders: clientele, print operations, and the organizations they support.
-
5
MDcons(Molecular Dynamics consensus)
Interpretation of Biomolecular MD simulations
MDcons is a tool to analyze conserved contacts during Molecular Dynamics (MD) simulations of Protein, Rna, Dna & Ligand based complexes. The input is either a Molecular Dynamics trajectory or a set of snapshots. The input can also be a single snapshot. The outputs are (1) map of most/less frequently conserved contacts during MD (2) a list of most/less frequently conserved contacts during MD.
- Previous
- You're on page 1
- Next
