Hi, Using selections based on atom IDs is almost always a bad idea, since the IDs depend on how the PSF was created.
In this case, it appears that there's a problem with the xplor to VMD selection translation. If you switch your selections to atom names or something, you should be fine. --JK On Nov 22, 2006, at 2:45 PM, <[email protected]> wrote: > Hi all, > I have a tbl (cns-format) like this: > > assign ( resid 12 and segid A) > ( > ( resid 1 and segid B and (id 1114:1146)) > ) 2.0 2.0 0.0 > and feeding it to vmd-xplor it seems not reading it properly, but just > skipping the restraints. if I remove the id 1114:1146 it works as > normal. I am sure that 1114:1146 it is a part of my molecule. > probably i > guess it is a syntax problem .... how can i solve it? > > thanks in advance > > Regards > > andrea > > Andrea Spitaleri PhD > Dulbecco Telethon Institute > c/o DIBIT Scientific Institute > Biomolecular NMR, 1B4 > Via Olgettina 58 > 20132 Milano (Italy) > > ----- Original Message ----- > From: [email protected] > Date: Wednesday, November 22, 2006 8:22 pm > Subject: Re: [Xplor-nih] problems with installation > >> -----BEGIN PGP SIGNED MESSAGE----- >> Hash: SHA1 >> >> >> Hello Jakob-- >> >>> >>> I am trying to instal xplor-nih on redhat linux. When I am >> running the >>> configure script I get the folowwing error message: >>> >>> ./configure: line 45: xplor: command not found >>> >>> line 45 of "configure" says: >>> >>> "eval `bin/xplor -sh-env`" >>> >>> does this mean that I need to install xplor before installing >> xplor-nih? >>> >> >> No. >> >> I think you have not downloaded and unpacked the two tar.gz files. >> One >> - -db.tar.gz and the other one of the -Linux*.tar.gz files. Please >> makesure you have both unpacked and see if the error persists. >> >> regards-- >> Charles >> -----BEGIN PGP SIGNATURE----- >> Version: GnuPG v1.4.5 (GNU/Linux) >> Comment: Processed by Mailcrypt 3.5.8 <" >> target="l">http://mailcrypt.sourceforge.net/> >> iD8DBQFFZKNhPK2zrJwS/lYRArUVAJ99TYyGuspGy3x9YgveYLSo2jEzQACfZA1H >> tt6=DmnT >> -----END PGP SIGNATURE----- >> _______________________________________________ >> Xplor-nih mailing list >> [email protected] >> http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih >> >> <spitaleri.andrea.vcf> > _______________________________________________ > Xplor-nih mailing list > [email protected] > http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
