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.

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/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