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output to separate files
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icamps

Joined: 19 Apr 2007
Posts: 2

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Link to postPosted: Tue May 22, 2007 12:56 pmPost subject: output to separate files Reply with quote

Hi all,

I am making a conformer searching.

I would like to save each conformer found in a separate file. So, if the plugin found 15 conformers I want to have 15 separate files.

I already read the cxcalc doc, search the forum, etc.

I am using Marvin 4.1.7.

Regards,

Camps
Zsolt
ChemAxon personnel
Joined: 11 Jan 2006
Posts: 1038

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Link to postPosted: Tue May 22, 2007 4:13 pmPost subject: Reply with quote

Hi,

It can not be done using cxcalc, but using our Java API it can be done quite easily.

Relevant API documentation:
ConformerPlugin class (see the example in the class header)
MolImporter class
MolExporter class

Best regards,
Zsolt
icamps

Joined: 19 Apr 2007
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Link to postPosted: Tue May 22, 2007 6:18 pmPost subject: Reply with quote

Hi,

Thank you.

[]s,

Camps
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