Re: CCL:converting an sdf database into a chemfinder database
- From: Richard Wood <rlw28)at(cornell.edu>
- Subject: Re: CCL:converting an sdf database into a chemfinder
database
- Date: Tue, 20 Apr 2004 07:01:07 -0600
Hi all
I should note that the file that I am trying to open and convert,
CANS03.sdf, is a file that I obtained from the NCI database (I don't
have the url with me, it's at work), and it originally couldn't be
opened with CACTVS, until someone at the NCI "fixed" it.
CACTVS now
reads it, but won't write it out, at least not the whole file. The
part
that CACTVS does write out, can be read by Chemfinder, however. CACTVS
will currently write out the first 37 structures I believe and then not
write anymore, but only if I write the first 15 and then append the
next
15 and so on. SO it writes two sets of 15 structures and then 7 of the
next 15 and then stops. I'm doing this using the CACTVS browser, btw.
I hope this helps all of those that responded with questions/suggestions.
TIA,
Richard
Richard L. Wood wrote:
Hi all
I'm wondering if there is anyway to convert an sdf database into something
that Chemfinder can read easily.
Chemfinder is supposed to be able to import sdf databases, but the file I
have must not be formatted correctly, because chemfinder can't read it.
Thanks in advance,
Richard
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Richard L. Wood, Ph. D.
Computational Chemist
SynVax, Inc.
N. Logan, UT 84341