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How to use 'CYZ' residues?

Category: 
Enzyme Design

Hi, all.

 

I want to refine a PDB file with one zinc ion using 'SetupMetalsMover'.

 

I have added one zinc ion which is predicted to coordinate with cysteine and histidine.

I noticed there is 'CYZ.params' file and 'residue_types.txt' file ( '/database/chemical/residue_type_sets/fa_standard/residue_types.txt' file ) includes the 'CYZ.params'.

Then, I changed the residue name of cysteine to 'CYZ' (from CYS).

And then, I executed rosettascript to refine my pdb.

 

Post Situation: 

Local docking- should I use KIC?

Category: 
Docking

Hi, I'm kind of new to Rosetta. 

I am trying to dock GPCR and G protein complex using local docking, but it turns out that there is some clashes between Interloop 2 and G alpha subunit. How can I solve this problem? Should I use KIC for loop modeling and then use local docking application? 

Could you please help me solve this problem?

 

Thank you

Post Situation: 

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