Re: [Rdkit-discuss] 2011.09 (Q3 2011) RDKit release
Hi Greg, I probably should have picked this up in the beta (but didn't...) When I try to import AllChem, I see the following: >>> from rdkit import Chem >>> from rdkit.Chem import AllChem Traceback (most recent call last): File "", line 1, in from rdkit.Chem import AllChem File "C:\Python27\RDKit_2011_09_1\rdkit\Chem\AllChem.py", line 28, in from rdkit.Chem.rdSLNParse import * ImportError: DLL load failed: The specified module could not be found. Any advice? Kind regards James __ PLEASE READ: This email is confidential and may be privileged. It is intended for the named addressee(s) only and access to it by anyone else is unauthorised. If you are not an addressee, any disclosure or copying of the contents of this email or any action taken (or not taken) in reliance on it is unauthorised and may be unlawful. If you have received this email in error, please notify the sender or postmas...@vernalis.com. Email is not a secure method of communication and the Company cannot accept responsibility for the accuracy or completeness of this message or any attachment(s). Please check this email for virus infection for which the Company accepts no responsibility. If verification of this email is sought then please request a hard copy. Unless otherwise stated, any views or opinions presented are solely those of the author and do not represent those of the Company. The Vernalis Group of Companies Oakdene Court 613 Reading Road Winnersh, Berkshire RG41 5UA. Tel: +44 118 977 3133 To access trading company registration and address details, please go to the Vernalis website at www.vernalis.com and click on the "Company address and registration details" link at the bottom of the page.. __-- All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity and more. Splunk takes this data and makes sense of it. Business sense. IT sense. Common sense. http://p.sf.net/sfu/splunk-d2d-oct___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] 2011.09 (Q3 2011) RDKit release
Hi James, This looks like there are missing dlls from the lib folder. The easiest solution would to be copy all the files from the lib folder of the previous (working) RDKit version and paste them in the lib folder of the current one (without overwriting them). Regards, George On 16 October 2011 15:56, James Davidson wrote: > ** > Hi Greg, > > I probably should have picked this up in the beta (but didn't...) When I > try to import AllChem, I see the following: > > >>> from rdkit import Chem > >>> from rdkit.Chem import AllChem > > Traceback (most recent call last): > File "", line 1, in > from rdkit.Chem import AllChem > File "C:\Python27\RDKit_2011_09_1\rdkit\Chem\AllChem.py", line 28, in > > from rdkit.Chem.rdSLNParse import * > ImportError: DLL load failed: The specified module could not be found. > > Any advice? > > Kind regards > > James > > __ > PLEASE READ: This email is confidential and may be privileged. It is > intended for the named addressee(s) only and access to it by anyone else is > unauthorised. If you are not an addressee, any disclosure or copying of the > contents of this email or any action taken (or not taken) in reliance on it > is unauthorised and may be unlawful. If you have received this email in > error, please notify the sender or postmas...@vernalis.com. Email is not a > secure method of communication and the Company cannot accept responsibility > for the accuracy or completeness of this message or any attachment(s). > Please check this email for virus infection for which the Company accepts no > responsibility. If verification of this email is sought then please request > a hard copy. Unless otherwise stated, any views or opinions presented are > solely those of the author and do not represent those of the Company. > > The Vernalis Group of Companies > Oakdene Court > 613 Reading Road > Winnersh, Berkshire > RG41 5UA. > Tel: +44 118 977 3133 > > To access trading company registration and address details, please go to > the Vernalis website at www.vernalis.com and click on the "Company address > and registration details" link at the bottom of the page.. > __ > > > -- > All the data continuously generated in your IT infrastructure contains a > definitive record of customers, application performance, security > threats, fraudulent activity and more. Splunk takes this data and makes > sense of it. Business sense. IT sense. Common sense. > http://p.sf.net/sfu/splunk-d2d-oct > ___ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > > -- All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity and more. Splunk takes this data and makes sense of it. Business sense. IT sense. Common sense. http://p.sf.net/sfu/splunk-d2d-oct___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] 2011.09 (Q3 2011) RDKit release
James, On Sun, Oct 16, 2011 at 7:56 AM, James Davidson wrote: > > I probably should have picked this up in the beta (but didn't...) When I > try to import AllChem, I see the following: > from rdkit import Chem from rdkit.Chem import AllChem > > Traceback (most recent call last): > File "", line 1, in > from rdkit.Chem import AllChem > File "C:\Python27\RDKit_2011_09_1\rdkit\Chem\AllChem.py", line 28, in > > from rdkit.Chem.rdSLNParse import * > ImportError: DLL load failed: The specified module could not be found. If it's being caused by the SLN parser import, then the problem has to do with the boost regex library. I just checked the binary and it looks like I included the wrong dlls in the distribution. The short-term solution is quite simple: comment out the offending line in AllChem.py. This will only cause problems if you are using the SLN parser in your code. -greg -greg -- All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity and more. Splunk takes this data and makes sense of it. Business sense. IT sense. Common sense. http://p.sf.net/sfu/splunk-d2d-oct ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] 2011.09 (Q3 2011) RDKit release
I'm traveling and don't have access to the machine where I normally do windows builds, but I tried to create an alternate binary using dlls from an older RDKit distribution. Please give this a try: http://code.google.com/p/rdkit/downloads/detail?name=RDKit_2011_09_1.win32.py27.pkg2.zip and let me know if it works. If so I will go ahead and replace the current binaries with this one. Sorry for the hassle and thanks for the help, -greg -- All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity and more. Splunk takes this data and makes sense of it. Business sense. IT sense. Common sense. http://p.sf.net/sfu/splunk-d2d-oct ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] 2011.09 (Q3 2011) RDKit release
Hi Greg, This should work - this is how I solved a similar problem with the latest RDKit version for Windows. Cheers, George On 16 October 2011 16:32, Greg Landrum wrote: > I'm traveling and don't have access to the machine where I normally do > windows builds, but I tried to create an alternate binary using dlls > from an older RDKit distribution. > > Please give this a try: > > http://code.google.com/p/rdkit/downloads/detail?name=RDKit_2011_09_1.win32.py27.pkg2.zip > and let me know if it works. If so I will go ahead and replace the > current binaries with this one. > > Sorry for the hassle and thanks for the help, > -greg > > > -- > All the data continuously generated in your IT infrastructure contains a > definitive record of customers, application performance, security > threats, fraudulent activity and more. Splunk takes this data and makes > sense of it. Business sense. IT sense. Common sense. > http://p.sf.net/sfu/splunk-d2d-oct > ___ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > -- All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity and more. Splunk takes this data and makes sense of it. Business sense. IT sense. Common sense. http://p.sf.net/sfu/splunk-d2d-oct___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
