Incorporating iron-sulfur cluster into ROSETTA applications
Submitted by Derek Smith on Thu, 2014-08-14 23:12
Category:
Small Molecules
Hello,
I am working with an enzyme that uses Fe4S4 iron-sulfur clusters as co-factors. I recently built a model (using other software) and want to use ROSETTA for optimisation and enzyme design. I am very new to the software suite, and have managed to relax the protein together with the substrate ligand, for which I have a mol2 file. I would also like to include the iron-sulfur cluster, for which I have PDB coordinates, as well as AMBER PREP and FRCMOD files.
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