Subject: Re: [nmr_sparky] water refinement of structures generated by CYANA
From: Mandar T. Naik
Date: Oct 29, 2007

Previous: 442 Next: 444


Hi,
Another alternative is discussed in message 222 of CYANA mailing list by Jin-Won Jung. Their python scripts are available at

http://spin.yonsei.ac.kr/solwind/h2orefine.tar.gz.

regards
-mandar

On Sunday 28 October 2007 10:56, Betty Swanson wrote:
Dear All,

I want to carry out water refinement of CYANA generated structures using CNS1.1. Can you’ll please help me out? I know there are RECOORD scripts such as generate.sh etc. However, I don’t know how to execute them. For instance, simply typing

“generate.sh 1KDF.pdb”

does not generate any output. It just gives the following message:

generate.sh: command not found.

(I have changed the path such that the location of the RECOORD scripts are defined).

Since some of you’ll must have done waterrefinement of structures generated by CYANA, can you please tell me how to do it.

Thanks,

Betty



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