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[Cdk-devel] [ cdk-Feature Requests-888240 ] CDK I/O Filter for ChemDraw (*.CHM) files
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From: SourceForge.net <no...@so...> - 2004-02-28 17:18:19
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Feature Requests item #888240, was opened at 2004-01-31 18:16 Message generated for change (Comment added) made by petermr You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=370024&aid=888240&group_id=20024 Category: cdk.io Group: None Status: Open Priority: 3 Submitted By: Ricardo Stefani (rstefani) Assigned to: Nobody/Anonymous (nobody) Summary: CDK I/O Filter for ChemDraw (*.CHM) files Initial Comment: I would be good if CDK have a native I/O Filter for ChemDraw files (*.CHM) which are native from Cambridge Soft ChemOffice and widely used on MS-windows platforms. ---------------------------------------------------------------------- Comment By: Peter Murray-Rust (petermr) Date: 2004-02-28 17:07 Message: Logged In: YES user_id=125666 I have written a Chemdraw reader - it works with binary files and is also able to extract most chemdraw files from Word documents (not all because the block structure is hairy and undocumented). I would be happy to make it available It supports most of the chemical objects in Chemdraw (as described on the public website) but does not support the more graphical ones (e.g. curly brackets, colours, etc.) The output of the program is a DOM (I use my own, but you could include others quite easily). The CDX format is quite large and complex so unless you have already done much of the work I'd suggest starting with what I have done. Note that even after parsing into a DOM the strucure of the molecules are not always simple (there is a node structure which can be recursive). The may need postprocessing - and I think I have created a set of stylesheets to help with this. The code is offered under the Artistic license but could be GPLed if necessary PeterMR ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2004-02-28 09:28 Message: Logged In: YES user_id=25678 Sure, we very much appreciate contributed code. Please send a the code to the cdk-devel@ list, or introduce yourself there and mention your intention, then Christoph or I can add your account to the project, so that you will have cvs write access. ---------------------------------------------------------------------- Comment By: Ricardo Stefani (rstefani) Date: 2004-02-28 00:47 Message: Logged In: YES user_id=57779 Hello, Sorry for not uploading files. It's because I was on vacation and without any access to the net. I have some time and I'll try (but I don't promisse) to implement a CDX Filter (CDX is the new format of ChemDraw). If it works sucessfully I'll upload the files herein. Could I do That ? ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2004-02-24 12:13 Message: Logged In: YES user_id=25678 Don't have time any soon. ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2004-02-05 20:37 Message: Logged In: YES user_id=25678 Can you send us a few ChemDraw files that we are allowed to put in CVS for testing? Preferably, both 2D and 3D, maybe even with partial charges and some other features. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=370024&aid=888240&group_id=20024 |