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Constraints use in RosettaCM

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Constraints use in RosettaCM

Hello, dear developers!

I am trying to use constraints in RosettaCM. After having successfully launched the application with cofactor-containing templates and generating many decoys with flying high cofactors, I cannot get use of constraints because Rosetta does not see chain X and obviously exit with "chain_id X does not exist". I tried to use "TER" between chains in templates .pdb's placing it between protein and cofactor chains. Also I switched all zero-weighted templates "cst" parameters in XML to "NONE" from "AUTO". Any advices about how to resolve the issue are appreciated in advance. Many thanks.

core.scoring.constraints.SiteConstraint: (0) read: CA 81 constrain to chain: X func: SIGMOID core.pose.util: (0) [ WARNING ] In get_chain_ids_from_chains(): Pose doesn't have a PDBInfo object - making a temporary default one. protocols.rosetta_scripts.ParsedProtocol: (0) [ ERROR ] Exception while processing procotol:

File: src/core/pose/ chain_id X does not exist protocols.jd2.JobDistributor: (0) [ ERROR ]

[ERROR] Exception caught by JobDistributor for job S_0001

Edit: SOLVED. Hallelujah! Chain_id X don't exist, but B do exist.


Post Situation: 
Wed, 2018-10-03 12:11