Welcome to gRINN’s documentation!¶
gRINN is a software for residue interaction enery-based analysis of protein MD simulation trajectories.
Current version is v1.1.0.hf1.
Start with the Tutorial.
If you use gRINN for research or commercial purposes, please cite the following publication of gRINN in your publication (article, thesis, etc.):
|[SO201]||Onur Serçinoğlu, Pemra Ozbek; gRINN: a tool for calculation of residue interaction energies and protein energy network analysis of molecular dynamics simulations, Nucleic Acids Research, Volume 46, Issue W1, 2 July 2018, Pages W554–W562, https://doi.org/10.1093/nar/gky381|
2018/11/27: Thank you for your interest in gRINN! We greatly appreciate your feedback. We’re aware of several bugs, including incompatibility with some input data and gromacs versions, We’re currently working to fix them in the next version release (anticipated January 2019). If you also experience problems, please feel free to send an email to onursercin AT gmail DOT com!
- Obtaining gRINN
- Preparing input data
- Starting the Application
- gRINN Main Window
- gRINN New Calculation
- gRINN View Results
- gRINN with GROMACS data
- gRINN Command-Line Interface
- Preparing NAMD/CHARMM input data for gRINN
- Deleting non-protein atoms from GROMACS input data
- Issues and History/Change Log
- Citing gRINN
- Source Code