ADL: why cluster rmsd =0 ?

Bjoern Olausson olausson at gmail.com
Fri Mar 28 03:27:21 PDT 2008


On 3/28/08, qiaoyan <qiaoyan at dicp.ac.cn> wrote:
>  Another question:
>
>  How to save the docked conformation as pdb ?
>
>  Please help me.thank you !
>

Thats a really good question.

You could try the following... but didn't work for me:
- Open "clustering --> show"
- Choose a cluster
--> conformation player will open
- Hit the "&"
- select "write complex"
- close your analyze
- read the newly written complexed pdbqt
- select "File --> Save --> Write PDB"
(Not shure which options to choose... but no combination resulted in a
working PDB file for sybyl pymol, thought works fine on these pdb
files)

converting this PDB to MOL2 with openbabel makes babel fail with
"Speicherzugriffsfehler" (Memory access failure)

Please let me know if you found a way to get a working pdb file.

kind regards
Bjoern


More information about the autodock mailing list