Hi all, now that Jmol's ReaderFactory is ported to CDK, I added a tool in cdk/applications that uses it... for this class is in cdk/packages/tar/cdk/bin a shell script wrapper...
Simple syntax: Jmol-6/samples> cdk-guessformat * 1crn.pdb: format=org.openscience.cdk.io.PDBReader 4-cyanophenylnitrene-Benzazirine-TS.g94.out: format=org.openscience.cdk.io.Gaussian94Reader CdSe_nanocrystal.xyz: format=org.openscience.cdk.io.XYZReader Cl2O.log: format=org.openscience.cdk.io.GamessReader HfO2_mol_opt.in: format=org.openscience.cdk.io.ABINITReader <etc> This in combination with grep (windows users: install CygWin): Jmol-6/samples $ cdk-guessformat * | grep ABINIT HfO2_mol_opt.in: format=org.openscience.cdk.io.ABINITReader HfO2_on_Si_relax.in: format=org.openscience.cdk.io.ABINITReader Si_eband.out: format=org.openscience.cdk.io.ABINITReader bulk_Si.in: format=org.openscience.cdk.io.ABINITReader slab_7Si_3Vac_2x.in: format=org.openscience.cdk.io.ABINITReader slab_7Si_3Vac_2x_relax_2x1.out: format=org.openscience.cdk.io.ABINITReader t12.abinit.out: format=org.openscience.cdk.io.ABINITReader t13.abinit.out: format=org.openscience.cdk.io.ABINITReader t54.in: format=org.openscience.cdk.io.ABINITReader zeolite_AFI.out: format=org.openscience.cdk.io.ABINITReader Handy isn't it? Get your CDK cvs up to date and send me your experiences. Egon ------------------------------------------------------- This SF.net email is sponsored by: eBay Get office equipment for less on eBay! http://adfarm.mediaplex.com/ad/ck/711-11697-6916-5 _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
