You should check also that you use for acpype a python installation under which the openbabel is installed. Lucio Montero Instituto de Biotecnología, UNAM. -------------------------------------------------------
El mar, 12-04-2011 a las 07:29 -0700, Aldo Segura escribió: > First of all, I don't know if this is the right forum to > discuss issues related to acpype. You should try to contact the > acpype team. > > I'm not an acpype expert but if I can help you, do not > hesitate to contact me through my email. > > > Some tips: > > > Considering that python, openbabel and Ambertools are properly > installed and if the test shows an error, then something is wrong with > the installation. How do you download the program? > > By: "svn" or "wget " > > if you want I can send you a copy that I use and works well, so you > can try to install it. > > > Regards, > > > > Aldo > > > ======================================= > Aldo Segura-Cabrera > Laboratorio de Bioinformática > Centro de Biotecnología Genómica > Instituto Politécnico Nacional > Blvd. Del Maestro esquina Elías Piña, 88710 > Reynosa, Tamaulipas, México. > (899)9243627 ext. 87747 > e-mail: [email protected]; [email protected] > ========================================= > > > > > --- El mar 12-abr-11, fancy2012 <[email protected]> escribió: > > De: fancy2012 <[email protected]> > Asunto: [gmx-users] re: Acpype error > A: [email protected] > Fecha: martes, 12 de abril de 2011, 0:57 > > Dear Prof. Aldo Segura-Cabrera, > Thanks very much for your reply. I just download the package > of Acpype, and I ran ../acpype.py -i FFF.pdb to test > acpype.py, but then I got the error. Amber11 and AmberTools > 1.4 have been successfully installed on the computer. I have > read the installation instruction, I find it is only creating > a linker of acpype.py, I do not know how AmberTools works with > acpype.py, I will go through it. Thanks very much for your > suggestion, and still could you please help me with this > error? > > Best wishes, > Qinghua Liao > > > > -----Sigue archivo adjunto----- > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before > posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
