#21 modelling heme proteins

[Anonymous]

Modeller is able to deal with some heteroatoms as heme. It would be great if biskit too. I think the only thing to consider is allowing a lowercase '.h' at the end of each (template and target) sequence and adding a:
'env.io.hetatm = True' tag in the model_multy.py file

This will treat the heme (h) as a rigid body and model the protein considering it.
Note that biskit changes the sequences to uppercase but the last h shuld remain in lowercase.

Thanks, Ale.

alejandro.nadra@crg.es