reference model restraints by segid
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
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 : [email protected]
Fax : 510-486-5909 Web : CCI.LBL.gov
On Thu, May 28, 2015 at 1:29 PM, jp d
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 ? thanks jpd
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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
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 : [email protected] Fax : 510-486-5909 Web : CCI.LBL.gov
On Thu, May 28, 2015 at 1:29 PM, jp d
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 ? thanks jpd
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]
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
I suspect this is a ribosome structure.. It would be great to make this work indeed, so if it still does not work please send us inputs so we can investigate. Pavel On 5/28/15 10:34 PM, Oleg Sobolev wrote:
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
mailto:[email protected]> 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 tel:510-486-5709 Email : [email protected] Fax : 510-486-5909 tel:510-486-5909 Web : CCI.LBL.gov http://CCI.LBL.gov
On Thu, May 28, 2015 at 1:29 PM, jp d
mailto:[email protected]> 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 ? thanks jpd
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participants (4)
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jp d
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Nigel Moriarty
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Oleg Sobolev
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Pavel Afonine