cryson-batch

Description: Two scripts to process pdb files through CRYSON and obtain a list of R_g and D_max values.

The example here uses the 2KKJ.pdb file split into its 10 conformers.
Original pdb available from: https://www.rcsb.org/structure/2kkj

Requires CRYSON program within ATSAS tools (free, registration required).
Available from: https://www.embl-hamburg.de/biosaxs/cryson.html

1. cryson_batch.py
   Process a batch of pdb files through the CRYSON program to calculate small-angle neutron scattering (SANS) curves.

2. parse_Rg_Dmax.py
   Parse out R_g and D_max values from CRYSON *.log files and write to file.