[AMBER] HOW to type a free CYS molecule

From: MinYuan <minyuan.mail.ustc.edu.cn>
Date: Wed, 15 Aug 2018 21:57:13 +0800 (GMT+08:00)

Hi,


I'm studying a free CYS molecule, HS-CH2-CH(HN3+)-COO-.
This free CYS is a ligand in the protein (PDB ID 4QM9).


I tried to use antechamber and parmchk2 to type this CYS, HS-CH2-CH(HN3+)-COO-.
But failed.


Does any one known how to type a free CYS molecule?


Thanks.


Best,


Yuan
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Received on Wed Aug 15 2018 - 07:00:03 PDT