The Molprobity API runs the molprobity workflow. This workflow takes as input a PDB file and runs molprobity MolProbity with the default settings, returning an HTML report. This tool is useful for identifying issues with atomic detail level models (See Notes for more information).
Table of Contents |
---|
Quickstart
To submit a job:
Code Block |
---|
cyrus engine submit molprobity input.pdb |
Inputs
--pdb-file
Input PDB to evaluate in MolProbity
Outputs
report.tgz
HTML MolProbity report
Notes
MolProbity is a structure-validation web service that diagnoses and evaluates model quality at global and local levels
Analyses performed by MolProbity include:
Addition of H atoms
All-atom contact analysis
Torsion-angle combinations
Covalent-geometry analyses
Nucleic acid analyses
Provides an overall MolProbity score based on a combination of the analyses conducted listed above.
See References for additional resources and information on MolProbity
References
MolProbity: all-atom structure validation for macromolecular crystallography