Re: [AMBER] How MCPB add ligand with a small molecule in*_siderchain.bcl

From: Ben Roberts <ben.roberts.geek.nz>
Date: Tue, 22 Nov 2011 23:11:02 -0500

Hi JiYuan,

On 22/11/2011, at 9:54 AM, JiYuan Liu wrote:

> I have produced the XML file for the ligand of small molecule,you could
> have a look in my attachment.

No, I can't validate your input for you.

> How can I use the ca.XML within bcl scripts,would you like to tell me the
> detail procedure,thank you very much.

See my earlier response. Unfortunately, that answer was off-list, because I hit Reply. This is one reason why I encourage you to send your email solely to the list; replies to the list are available for future users to consult, and if you email only the list, replies automatically get sent to the list as well. If you email the list as well as individual recipients, replies automatically go to you directly, and no-one else can see them or benefit from our answers to your questions.

Regards,
Ben

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Received on Tue Nov 22 2011 - 20:30:05 PST
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