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ProMod3 is a modelling engine based on the OpenStructure computational
structural biology framework (www.openstructure.org)
that can perform all steps required to generate a protein model by
homology. Its modular design aims at implementing flexible modelling
pipelines and fast prototyping of novel algorithms.
Get started with the docs: www.openstructure.org/promod3
Please do not hesitate to contact us for feedback or troubleshooting:
ost-users@maillist.unibas.ch
SCHWED-4333: remove early inf-catch as OpenMM may recover from it.
Gerardo Tauriello
authored
Instead, we catch the exception thrown when energy minimization fails. OpenMM can recover from inf-energy which appears due to clashing hydrogens.
| Name | Last commit | Last update |
|---|---|---|
| actions | ||
| cmake_support | ||
| conf-scripts | ||
| config | ||
| container | ||
| core | ||
| doc | ||
| extras | ||
| loop | ||
| modelling | ||
| scoring | ||
| scripts | ||
| sidechain | ||
| .gitignore | ||
| CHANGELOG | ||
| CMakeLists.txt | ||
| LICENSE | ||
| NOTICE | ||
| README |