[Rdkit-discuss] GUI Overview
Hello, I try to install and use the GUI that can be seen in the presentation RDKit_Overview.pdf on slide 19. For now only access the command line works. Thank you Cédric ** DISCLAIMER This email and any files transmitted with it, including replies and forwarded copies (which may contain alterations) subsequently transmitted from Firmenich, are confidential and solely for the use of the intended recipient. The contents do not represent the opinion of Firmenich except to the extent that it relates to their official business. ** -- Download Intel#174; Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
[Rdkit-discuss] (no subject)
Hello, I would like to know if there is someone who uses utility Cinfony with RDKit. I use version 0.9 of Cinfony and an old version of RDKit (May 2008). There is no problem when using both programs. But I cannot arrive to install version Q2009P25, RDKit module is not found when I loaded. Although having only replace the contents of the directory rdkit Cinfony. ** DISCLAIMER This email and any files transmitted with it, including replies and forwarded copies (which may contain alterations) subsequently transmitted from Firmenich, are confidential and solely for the use of the intended recipient. The contents do not represent the opinion of Firmenich except to the extent that it relates to their official business. ** -- Download Intel#174; Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
[Rdkit-discuss] rdkit and Cinfony
Hello, I would like to know if there is someone who uses utility Cinfony with RDKit. I use version 0.9 of Cinfony and an old version of RDKit (May 2008). There is no problem when using both programs. But I cannot arrive to install version Q2009P25, RDKit module is not found when I loaded. Although having only replace the contents of the directory rdkit Cinfony. Tks Cedric ** DISCLAIMER This email and any files transmitted with it, including replies and forwarded copies (which may contain alterations) subsequently transmitted from Firmenich, are confidential and solely for the use of the intended recipient. The contents do not represent the opinion of Firmenich except to the extent that it relates to their official business. ** -- Download Intel#174; Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] rdkit and Cinfony
On Mar 12, 2010, at 7:23 AM, Cedric MORETTI wrote: I would like to know if there is someone who uses utility Cinfony with RDKit. I have. I have cinfony-0.9 installed and RDKit_Q32009_1. (At least, I think I do. Greg's going to add a version() call in the next release, but there's no programmatic way to get the Cinfony version.) I don't have a problem. But I cannot arrive to install version Q2009P25, RDKit module is not found when I loaded. Although having only replace the contents of the directory rdkit Cinfony. Without a traceback giving more details about the error, it's hard to diagnose this. Andrew da...@dalkescientific.com -- Download Intel#174; Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] rdkit and Cinfony
Hi, On Fri, Mar 12, 2010 at 3:23 PM, Cedric MORETTI cedric.more...@firmenich.com wrote: Hello, I would like to know if there is someone who uses utility Cinfony with RDKit. I use version 0.9 of Cinfony and an old version of RDKit (May 2008). There is no problem when using both programs. But I cannot arrive to install version Q2009P25, RDKit module is not found when I loaded. Although having only replace the contents of the directory rdkit Cinfony. I'm not a cinfony user, and it would be helpful to have the full traceback (as Andrew said), but I can make a guess about this: The package structure of the RDKit changed between the Q42008 and Q12009 release. If the older version of Cinfony is expecting the old RDKit structure, it's not going to work with newer versions. Maybe there's a newer version of cinfoy you can download? Best Regards, -greg -- Download Intel#174; Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] rdkit and Cinfony
Hi Cedric, There will be a new version of cinfony released in the coming week (and a talk to follow at the ACS, the following week). This supports the latest version of RDKit. I also promise to set up a proper mailing list where enquiries of this sort can be sent (sorry Greg). - Noel Original message follows: On Fri, Mar 12, 2010 at 3:23 PM, Cedric MORETTI cedric.more...@firmenich.com wrote: Hello, I would like to know if there is someone who uses utility Cinfony with RDKit. I use version 0.9 of Cinfony and an old version of RDKit (May 2008). There is no problem when using both programs. But I cannot arrive to install version Q2009P25, RDKit module is not found when I loaded. Although having only replace the contents of the directory rdkit Cinfony. I'm not a cinfony user, and it would be helpful to have the full traceback (as Andrew said), but I can make a guess about this: The package structure of the RDKit changed between the Q42008 and Q12009 release. If the older version of Cinfony is expecting the old RDKit structure, it's not going to work with newer versions. Maybe there's a newer version of cinfoy you can download? Best Regards, -greg -- Download Intel#174; Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
