Re: CCL:converting an sdf database into a chemfinder database

Richard,
 Is it possible that you're talking about NCI database processed by our
 group (CADD  : at :  LMC  : at :  NCI-Frederick) ? The website is
 http://cactus.nci.nih.gov where you can download public
 portion of NCI
 database (processed). As the whole processing was done in CACTVS
 it is hard to imagine that one is not able to read/write the structures
 anymore. If you downloaded NCI database somewhere else then it is, of
 course, impossible to tell what did you get and what the problem with it
 might be.
 Regards,
 Igor Filippov
 Contractor - SAIC-Frederick
 Computer Aided Drug Design group
 Laboratory of Medicinal Chemistry
 National Cancer Institute
 On Tue, 20 Apr 2004, Richard Wood wrote:
 > 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
 > >
 > >
 > >
 > >
 > >
 > >
 > >
 >
 > --
 > Richard L. Wood, Ph. D.
 > Computational Chemist
 > SynVax, Inc.
 > N. Logan, UT 84341
 >
 >
 >
 >
 >
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