Re: [Rdkit-discuss] Compiling on MacOSX

2008-11-24 Thread Greg Landrum
Dear all, I've added a page to the wiki with build instructions for MacOS/X: http://code.google.com/p/rdkit/wiki/BuildingOnMacOs Andrew, these include your troubleshooting information from below. Please let me know if you want me to edit, rewrite, or remove your name. :-) -greg On Sat, Nov 22,

Re: [Rdkit-discuss] RDKit - DbCLI

2008-11-24 Thread Greg Landrum
Dear Kirk, On Fri, Nov 21, 2008 at 12:38 AM, Robert DeLisle rkdeli...@gmail.com wrote: After running through the process with exception handling in place I was able to isolate 10 structures that were being problematic. All of them had at least one bond designated as 0 order in the SD file -

Re: [Rdkit-discuss] Compiling on MacOSX

2008-11-24 Thread Andrew Dalke
Greg: Please let me know if you want me to edit, rewrite, or remove your name. :-) No worries; not a problem. But why is there so much green and blue text? ... Ahh, WikiMarkup. Andrew da...@dalkescientific.com

Re: [Rdkit-discuss] Compiling on MacOSX

2008-11-24 Thread Greg Landrum
On Mon, Nov 24, 2008 at 3:05 PM, Andrew Dalke da...@dalkescientific.com wrote: Greg: Please let me know if you want me to edit, rewrite, or remove your name. :-) No worries; not a problem. But why is there so much green and blue text? ... Ahh, WikiMarkup. yeah, the google wiki formatter

Re: [Rdkit-discuss] RDKit - DbCLI

2008-11-24 Thread Robert DeLisle
Fantastic! Thanks, Greg! After I got things working I've been able to generate a database and do some preliminary searches. I'm impressed at how quickly I can search ~100,000 compounds with SMARTS patterns. I have a feeling this one is going to get a lot of use. -Kirk On Mon, Nov 24, 2008

Re: [Rdkit-discuss] RDKit - DbCLI

2008-11-24 Thread Greg Landrum
On Mon, Nov 24, 2008 at 5:11 PM, Robert DeLisle rkdeli...@gmail.com wrote: Fantastic! Thanks, Greg! After I got things working I've been able to generate a database and do some preliminary searches. I'm impressed at how quickly I can search ~100,000 compounds with SMARTS patterns. I have a