pharmacophore upload error

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pharmacophore upload error

Postby vinay » June 21st, 2011, 2:30 am

I have generated the pharmacophore in .pml format with ligand scout, but it is not being uploaded in the Zinc pharmer. (Message: No points specified)
vinay
 
Posts: 6
Joined: June 21st, 2011, 1:34 am

Re: pharmacophore upload error

Postby dkoes » June 21st, 2011, 6:46 am

Please attach the pml file. Keep in mind that ZINCPharmer does not yet support volume exclusions.
dkoes
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Re: pharmacophore upload error

Postby dkoes » June 21st, 2011, 2:57 pm

In looking through the server logs I identified that there was a problem parsing PML files where the hydrogen bond features didn't have directions. This has been fixed. Please try again and if you still have a problem, attach a sample problem pml file.
dkoes
Site Admin
 
Posts: 24
Joined: May 27th, 2011, 11:29 am

Re: pharmacophore upload error

Postby vinay » June 22nd, 2011, 6:04 am

Thanks for the response..

Now the .pml file is being uploaded in the Zinc Pharmer, n the server is working fine.


Thanks again. :D
vinay
 
Posts: 6
Joined: June 21st, 2011, 1:34 am


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