Re: CCL:problem with mol2topdb script

["Tamas E. Gunda" <tamasgunda' at \`tigris.klte.hu>]

Luciana,
 The sybyl2 file looks quite strange - I mean the atoms and residues are
 scrambled, bonds between chains etc.
 The sum of partial charges is -104.18. Is it surely correct?
 The file was produced by Sybyl, if I understood well. Have you tried to
 re-read the file into Sybyl? Is it OK then?
 Regards
 Dr. Tamas E. Gunda
 Research Group for Antibiotics
 Hungarian Academy of Sciences
 University of Debrecen, POBox 36
 H-4010 Debrecen, Hungary
 tamasgunda' at \`tigris.klte.hu
 ----- Original Message -----
 From: "Luciana Marinelli" <luci' at \`novel7.farmacia.unina.it>
 To: <chemistry' at \`ccl.net>
 Sent: Monday, July 08, 2002 18:59
 Subject: CCL:problem with mol2topdb script
 > hallo,
 > I am a new AUTODOCK user, I have problem with mol2topdb script.
 > I am working on a silicon graphics with an operating system: IRIX64
 > Release 6. I have download the new one version of autodock.
 > I have downloaded my protein from PDB and I have added H and charges by
 > sybyl as you explain in the user guide, than I saved it as mol2 file,
 > but when I try to run the script that should convert the mol2 file into
 > the pdbq I have this output:
 > % mol2topdbq 1L5G.pdb
 > gawk - Command not found
 > %
 >
 >