DRSIP: Distance Restraints- and Cyclic Symmetry-Imposed Packing

DR-SIP contains tools and molecular docking protocols for predicting the quaternary structures of homo-oligomeric transmembrane proteins (HoTPs) by assuming the complex is cyclic (C_n) symmetric and filtering docking poses with experimentally measured distance restraints between the monomers in the complex.

The DR-SIP package contains 4 Python modules:

1. drsip: Implements the molecular docking protocols. Current implementation accepts ZDOCK output files.
2. zdock-parser: Parses ZDOCK output files, generates and returns the coordinates of poses without first writing to PDB files.
3. docking-eval: Implements the CAPRI criteria to evaluate docking results with respect to a reference structure.
4. drsip-common: Common functions used by the other modules.

If you’re using any of our packages please cite us.

Contents:

• Install and Quick Start
  • How to Install DR-SIP?
  • How to Use?
• Examples
• Cite Us
• APIs
  • DR-SIP package (drsip)
  • Distance Restraints Filter (drsip.dist_restraints)
  • C_n Symmetry Criterion (drsip.Cn_symm_criterion)
  • Tilt Angle Criterion (drsip.tilt_angle_criterion)
  • Structure Clustering (drsip.struct_clustering)
  • Saving and Loading (drsip.save_load)

Indices and tables

• Index
• Module Index
• Search Page