From owner-chemistry@ccl.net Sat Oct 1 01:35:01 2011 From: "rocky walden rocky.walden19=gmail.com" To: CCL Subject: CCL: AUTODOCK error Message-Id: <-45562-111001013155-14142-g7WTb10I1FsHW3lhlCiDQQ,server.ccl.net> X-Original-From: rocky walden Content-Type: multipart/alternative; boundary=0016e64ea93e47d02504ae360e16 Date: Sat, 1 Oct 2011 11:01:37 +0530 MIME-Version: 1.0 Sent to CCL by: rocky walden [rocky.walden19|,|gmail.com] --0016e64ea93e47d02504ae360e16 Content-Type: text/plain; charset=ISO-8859-1 Hi Sola, I am afraid that Autodock could not handle Metal-atoms. As far as I know that since AutoDock doesn't handle metal atoms so parameters for 'Metal atoms' is not available or parametrization is not done. Please correct me if I am wrong. Thanks Rocky On Thu, Sep 29, 2011 at 3:20 PM, rv sola rvsolo(!)gmail.com < owner-chemistry+/-ccl.net> wrote: > > Sent to CCL by: "rv sola" [rvsolo]![gmail.com] > dear ccl members, > > i would like to dock a metal complex with DNA. i am using > AUTODOCK windows version and i got the following error message while > processing the docking. > > ERROR: Unknown ligand atom type "Cu"; add parameters for it to the > parameter library first! > > if anybody experienced the same problem and possible solution? > > yours, > > rv sola> > > --0016e64ea93e47d02504ae360e16 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Hi Sola,

=A0=A0=A0=A0 I am afraid that Autodock could not handle Met= al-atoms.
=A0=A0=A0=A0 As far as I know that since AutoDock doesn't = handle metal atoms so parameters for 'Metal atoms' is not available= or parametrization is not done.

=A0=A0=A0 Please correct me if I am wrong.
Thanks
Rocky

On Thu, Sep 29, 2011 at 3:20 PM, rv sola rvsolo(!)= gmail.com <owner-chemistry+/-ccl.net> wro= te:

Sent to CCL by: "rv =A0sola" [rvsolo]![gmail.com]
dear ccl members,

=A0 =A0 =A0 =A0 =A0 =A0i would like to dock a metal complex with DNA. i am= using AUTODOCK windows version and i got the following error message while= processing the docking.

ERROR: =A0Unknown ligand atom type "Cu"; add parameters for it to= the parameter library first!

if anybody experienced the same problem and possible solution?

yours,

rv sola



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