CCL: info about .MOL files needed
- From: Joseph Durant <jdurant\a/mdl.com>
- Subject: CCL: info about .MOL files needed
- Date: Sat, 19 Nov 2005 18:42:46 -0800
Sent to CCL by: Joseph Durant [jdurant-*-mdl.com]
Hi Roman,
The molfile format is described in this document:
http://www.mdl.com/solutions/white_papers/ctfile_formats.jsp
Note that there are two styles of molfiles, V2000 and V3000; you
should
be sure that your parser can handle both (V3000 is used to support
enhanced stereochemistry and a number of other advanced features). MDL
doesn't have a free parser available (direct complaints to the sales
reps, not to me).
Joe
Roman Garcia nykros]|[gmail.com wrote:
Sent to CCL by: Roman Garcia [nykros|,|gmail.com]
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Hi,
I=B4m new to CCL, sorry if this question has been previously answered, bu=
t
CCL search capabilities seems to be disabled. I would like to know if anyon=
e
can help me: I need the specification of .MOL files to build a parser to
extract molecule information. Is there a free parser available?
Any usefull information will be apreciated.
Thank you in advance. Roman Garcia.
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<div>Hi,</div>
<div> </div>
<div> I=B4m new to CCL, sorry if this question has been
previously an=
swered, but CCL search capabilities seems to be disabled. I
would=
like to know if anyone can help me: I need the
specificatio=
n of .MOL files to build a parser to extract molecule information. Is there=
a free parser available?
</div>
<div> Any usefull information will be apreciated.</div>
<div> </div>
<div> Thank you in advance. Roman Garcia.</div>
<div> </div>
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--
Joe Durant jdurant-$-mdl.com
Elsevier MDL
14600 Catalina Street, San Leandro, CA 94577
voice: (510) 357-2222 x 1331 or (510) 895-1313 FAX: (510) 614-3630
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