Pinned Repositories
autodrug
AutoDrug is a customizable pipeline for fragment-based drug design studies which integrates beamline systems with standard crystallography programs to build personalized workflows utilizing the highly-automated SSRL macromolecular crystallography beamlines, the SSRL sample database and a full range of crystallographic software packages on high end-computing systems. AutoDrug workflows screen protein samples soaked with small molecule fragments, selects crystals and collects diffraction data, processes data, performs molecular replacement using a known model and detects electron density likely to arise from bound fragments, all without user intervention or supervision.
modelgrep
grep for values using templates
restflow
restflow-bash
restflow-fsharp
restflow-groovy
restflow-perl
restflow-python
restflow-r
yaml-spring-loader
Spring Loader which loads from yaml formatted file
restflow-org's Repositories
restflow-org/restflow
restflow-org/autodrug
AutoDrug is a customizable pipeline for fragment-based drug design studies which integrates beamline systems with standard crystallography programs to build personalized workflows utilizing the highly-automated SSRL macromolecular crystallography beamlines, the SSRL sample database and a full range of crystallographic software packages on high end-computing systems. AutoDrug workflows screen protein samples soaked with small molecule fragments, selects crystals and collects diffraction data, processes data, performs molecular replacement using a known model and detects electron density likely to arise from bound fragments, all without user intervention or supervision.
restflow-org/restflow-fsharp
restflow-org/yaml-spring-loader
Spring Loader which loads from yaml formatted file
restflow-org/modelgrep
grep for values using templates
restflow-org/restflow-bash
restflow-org/restflow-groovy
restflow-org/restflow-perl
restflow-org/restflow-python
restflow-org/restflow-r
restflow-org/restflow-samples
restflow-org/restflow-tcl
restflow-org/restflow-server