Thanx alot for reminding me. I am very sorry. I am using the command:
babel -i cif PIZFAF.cif -o pdb a.pdb --fillUC keepconnect OpenBabel version is 2.2.3 (The latest version is not giving the proper results according to me and hence I am sticking to the older one). Once again thanx alot PRASUN (ASHOKA) Desire + stability = Resolution Resolution + Hard work = Success On Wed, Dec 19, 2012 at 3:43 PM, Pascal Muller <pascal.jm.mul...@gmail.com>wrote: > Hi, > > Seems that the .cif file is not attached. > Which command are you using exactly? > > Regards, > Pascal > > > 2012/12/19 prasun kumar <prasu...@gmail.com> > >> I am using the --fillUC option with keepconnect for generating the >> symmetry mates. As per my understanding goes, by using this option, we >> should get full molecule. >> for example if the benzene molecule is having 12 atoms, so after >> generating the file using --fillUC option the number of atoms in the file >> should be multiple of 12. >> >> >> No w I used the same command and ran OPENBABAEL for the file PIZFAF.cif >> (file attached), which is having F -4 3 m space group. Molecule is having >> 53 atoms. >> I am getting total of 2225 atoms (a.pdb), which is not multiple of 53. >> Where am I doing wrong? >> >> How the result of OpenBabel can be rearranged to get the molecule. >> >> I am in desperate need of the solution >> >> thanx in advance. >> >> PRASUN (ASHOKA) >> Desire + stability = Resolution >> Resolution + Hard work = Success >> >> >> >> ------------------------------------------------------------------------------ >> LogMeIn Rescue: Anywhere, Anytime Remote support for IT. Free Trial >> Remotely access PCs and mobile devices and provide instant support >> Improve your efficiency, and focus on delivering more value-add services >> Discover what IT Professionals Know. Rescue delivers >> http://p.sf.net/sfu/logmein_12329d2d >> _______________________________________________ >> OpenBabel-discuss mailing list >> OpenBabel-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >> >> >
PIZFAF.cif
Description: Binary data
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