[phenixbb] reference model restraints by segid

jp d yoyoq at yahoo.com
Thu May 28 14:36:14 PDT 2015


hi,no it was the TER cards, it works now.i thought i had already tried that.
sorry to bother you.
thanksjpd
      From: Oleg Sobolev <osobolev at lbl.gov>
 To: Nigel Moriarty <nwmoriarty at lbl.gov> 
Cc: jp d <yoyoq at yahoo.com>; PHENIX User Mailing List <phenixbb at phenix-online.org> 
 Sent: Thursday, May 28, 2015 2:34 PM
 Subject: Re: [phenixbb] reference model restraints by segid
   
Hi,
If removing of TER indices won't work in dev-2056, I will be happy to investigate and find a way to make it work for everybody. To do so I will need the inputs you are using (i.e. models and parameter files)
Best regards,Oleg Sobolev.
On Thu, May 28, 2015 at 2:10 PM, Nigel Moriarty <nwmoriarty at lbl.gov> wrote:

The error says it doesn't like the TER cards. Remove them all and retry.
Cheers
Nigel
---Nigel W. Moriarty
Building 64R0246B, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709     Email : NWMoriarty at LBL.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov
On Thu, May 28, 2015 at 1:29 PM, jp d <yoyoq at yahoo.com> wrote:

Hi,I am having trouble getting phenix to used segid's in reference model restraints when
my reference and target pdbs both don't use chain ID's.phenix quits with this message:
*** Adding Reference Model Restraints ***
Sorry: chain ' ' in /home/path/removed/agnref2.pdb contains one or more errant TER cards.
Please remove and try again.

my definition file looks like this:refinement {
   main {
     reference_model_restraints = True
   }
   reference_model {
     file = two.pdb
   }
}
 
refinement.reference_model.reference_group {
 reference = segid A16S
 selection = segid A16S
}
(above about 50 more times)
this was on versions 1.9-1692 , dev-2016 and dev-2056

any suggestions ?thanksjpd


 
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