O , 2012-05-01 17:18 +0100, Scott McKechnie rakstīja: > To whom it may concern, > > I am having problems when trying to convert files. I am trying to convert a > .sdf file to a gaussian input file .com: > > babel opt.sdf opt.com > babel: cannot write output format! > Open Babel 2.3.1 -- May 1 2012 -- 16:34:16 > Usage: babel [-i<input-type>] <name> [-o<output-type>] <name> > Try -H option for more information. > > I keep getting the above error and I have tried different files and > different conversions, none seem to be working. I installed open babel > today with the command: > > cmake ../openbabel-2.3.1 -DCMAKE_INSTALL_PREFIX=/scratch/jsm78/ > -DBUILD_GUI=OFF > make && make install > > Some basic command results: > > which babel > /scratch/jsm78/bin/babel > babel -V > Open Babel 2.3.1 -- May 1 2012 -- 16:34:16 > > System details: > Distributor ID: SUSE LINUX > Description: openSUSE 11.4 (x86_64) > Release: 11.4 > Codename: Celadon > > Any help would be greatly appreciated.
Check if OB finds your desired format: $ babel -Hcom com Gaussian 98/03 Input Write Options e.g. -xk b Output includes bonds k "keywords" Use the specified keywords for input f <file> Read the file specified for input keywords u Write the crystallographic unit cell, if present. This format is Write-only Specification at: http://www.gaussian.com/g_ur/m_input.htm If it doesn't print the help message, but complains that format is not found (since you have installed in a non-standart place), then you have to tell it where to look for the plugins. Set environment variables for it as described in manual: LD_LIBRARY_PATH=/scratch/jsm78/... BABEL_LIBDIR=/scratch/jsm78/... BABEL_DATADIR=/scratch/jsm78/... I have an alias for them in my .bash_profile, so when I want to run OB from its build dir I'm just prefixing the command with obpath. Reinis ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
