Dear all, I put manually in the parameterfile from the gui the option nqh_flips=True. After the run starts, a popup comes up claiming about an invalid unsupported option and the refinement stops without producing any file, even not a log-file. Does the nqh option not longer exists or what happend here? I use at the moment phenix 1.6-289. Thanks for your help. Christian
Hi Christian,
The version of PHENIX that you are using is fairly old and as far as I
can recall was released before I had completed the NQH-flips method.
I would recommend upgrading to at least the most recent release or
even the latest released nightly build. Both will have a functional
NQH routine.
If you have any further questions please let me know.
Thanks,
Jeff
On Fri, Sep 10, 2010 at 5:14 AM, Christian Roth
Dear all,
I put manually in the parameterfile from the gui the option nqh_flips=True. After the run starts, a popup comes up claiming about an invalid unsupported option and the refinement stops without producing any file, even not a log-file. Does the nqh option not longer exists or what happend here? I use at the moment phenix 1.6-289.
Thanks for your help.
Christian _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
Hi Christian, in the latest PHENIX version the nqh-flip option is enabled by default. Pavel. On 9/10/10 5:36 AM, Jeff Headd wrote:
Hi Christian,
The version of PHENIX that you are using is fairly old and as far as I can recall was released before I had completed the NQH-flips method. I would recommend upgrading to at least the most recent release or even the latest released nightly build. Both will have a functional NQH routine.
If you have any further questions please let me know.
Thanks, Jeff
On Fri, Sep 10, 2010 at 5:14 AM, Christian Roth
wrote: Dear all,
I put manually in the parameterfile from the gui the option nqh_flips=True. After the run starts, a popup comes up claiming about an invalid unsupported option and the refinement stops without producing any file, even not a log-file. Does the nqh option not longer exists or what happend here? I use at the moment phenix 1.6-289.
Thanks for your help.
Christian _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
Hi Pavel, Recently I experienced similar to Christian's case: when I clicked that option from GUI, I got an error message but without click that option, everything was all right. (My phenix version is 1.6.4-486) Young-Jin On Sep 10, 2010, at 10:13 AM, Pavel Afonine wrote:
Hi Christian,
in the latest PHENIX version the nqh-flip option is enabled by default.
Pavel.
On 9/10/10 5:36 AM, Jeff Headd wrote:
Hi Christian,
The version of PHENIX that you are using is fairly old and as far as I can recall was released before I had completed the NQH-flips method. I would recommend upgrading to at least the most recent release or even the latest released nightly build. Both will have a functional NQH routine.
If you have any further questions please let me know.
Thanks, Jeff
On Fri, Sep 10, 2010 at 5:14 AM, Christian Roth
wrote: Dear all,
I put manually in the parameterfile from the gui the option nqh_flips=True. After the run starts, a popup comes up claiming about an invalid unsupported option and the refinement stops without producing any file, even not a log-file. Does the nqh option not longer exists or what happend here? I use at the moment phenix 1.6-289.
Thanks for your help.
Christian _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
Hi Young-Jin, could you please try the latest PHENIX version and see if it works. If it still doesn't work, please let us know and we will investigate. http://www.phenix-online.org/download/nightly_builds.cgi Pavel. On 9/10/10 8:09 AM, Young-Jin Cho wrote:
Hi Pavel, Recently I experienced similar to Christian's case: when I clicked that option from GUI, I got an error message but without click that option, everything was all right. (My phenix version is 1.6.4-486)
Young-Jin
On Sep 10, 2010, at 10:13 AM, Pavel Afonine wrote:
Hi Christian,
in the latest PHENIX version the nqh-flip option is enabled by default.
Pavel.
On 9/10/10 5:36 AM, Jeff Headd wrote:
Hi Christian,
The version of PHENIX that you are using is fairly old and as far as I can recall was released before I had completed the NQH-flips method. I would recommend upgrading to at least the most recent release or even the latest released nightly build. Both will have a functional NQH routine.
If you have any further questions please let me know.
Thanks, Jeff
On Fri, Sep 10, 2010 at 5:14 AM, Christian Roth
wrote: Dear all,
I put manually in the parameterfile from the gui the option nqh_flips=True. After the run starts, a popup comes up claiming about an invalid unsupported option and the refinement stops without producing any file, even not a log-file. Does the nqh option not longer exists or what happend here? I use at the moment phenix 1.6-289.
Thanks for your help.
Christian
Dear all, I installed a new version of phenix (1.6.4-486) and the NQH-flip function works fine (also from gui). Thanks a lot for your help Christian Am Freitag 10 September 2010 17:13:15 schrieb Pavel Afonine:
Hi Young-Jin,
could you please try the latest PHENIX version and see if it works. If it still doesn't work, please let us know and we will investigate.
http://www.phenix-online.org/download/nightly_builds.cgi
Pavel.
On 9/10/10 8:09 AM, Young-Jin Cho wrote:
Hi Pavel, Recently I experienced similar to Christian's case: when I clicked that option from GUI, I got an error message but without click that option, everything was all right. (My phenix version is 1.6.4-486)
Young-Jin
On Sep 10, 2010, at 10:13 AM, Pavel Afonine wrote:
Hi Christian,
in the latest PHENIX version the nqh-flip option is enabled by default.
Pavel.
On 9/10/10 5:36 AM, Jeff Headd wrote:
Hi Christian,
The version of PHENIX that you are using is fairly old and as far as I can recall was released before I had completed the NQH-flips method. I would recommend upgrading to at least the most recent release or even the latest released nightly build. Both will have a functional NQH routine.
If you have any further questions please let me know.
Thanks, Jeff
On Fri, Sep 10, 2010 at 5:14 AM, Christian Roth
wrote: Dear all,
I put manually in the parameterfile from the gui the option nqh_flips=True. After the run starts, a popup comes up claiming about an invalid unsupported option and the refinement stops without producing any file, even not a log-file. Does the nqh option not longer exists or what happend here? I use at the moment phenix 1.6-289.
Thanks for your help.
Christian
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
On Sep 16, 2010, at 11:25 AM, Christian Roth wrote:
Dear all,
I installed a new version of phenix (1.6.4-486) and the NQH-flip function works fine (also from gui). Thanks a lot for your help
Christian
Am Freitag 10 September 2010 17:13:15 schrieb Pavel Afonine:
Hi Young-Jin,
could you please try the latest PHENIX version and see if it works. If it still doesn't work, please let us know and we will investigate.
http://www.phenix-online.org/download/nightly_builds.cgi
Pavel.
On 9/10/10 8:09 AM, Young-Jin Cho wrote:
Hi Pavel, Recently I experienced similar to Christian's case: when I clicked that option from GUI, I got an error message but without click that option, everything was all right. (My phenix version is 1.6.4-486)
Young-Jin
On Sep 10, 2010, at 10:13 AM, Pavel Afonine wrote:
Hi Christian,
in the latest PHENIX version the nqh-flip option is enabled by default.
Pavel.
On 9/10/10 5:36 AM, Jeff Headd wrote:
Hi Christian,
The version of PHENIX that you are using is fairly old and as far as I can recall was released before I had completed the NQH-flips method. I would recommend upgrading to at least the most recent release or even the latest released nightly build. Both will have a functional NQH routine.
If you have any further questions please let me know.
Thanks, Jeff
On Fri, Sep 10, 2010 at 5:14 AM, Christian Roth
wrote: Dear all,
I put manually in the parameterfile from the gui the option nqh_flips=True. After the run starts, a popup comes up claiming about an invalid unsupported option and the refinement stops without producing any file, even not a log-file. Does the nqh option not longer exists or what happend here? I use at the moment phenix 1.6-289.
Thanks for your help.
Christian
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
Sorry for my previous e-mail. By accident, it was sent to everyone. FYI. Mac GUI has somewhat a bug for this NQH-flip function that I mentioned earlier coupled with residue numbering. It is now in fixing process by Jeff. Then have a good day! Young-Jin On Sep 16, 2010, at 11:25 AM, Christian Roth wrote:
Dear all,
I installed a new version of phenix (1.6.4-486) and the NQH-flip function works fine (also from gui). Thanks a lot for your help
Christian
Am Freitag 10 September 2010 17:13:15 schrieb Pavel Afonine:
Hi Young-Jin,
could you please try the latest PHENIX version and see if it works. If it still doesn't work, please let us know and we will investigate.
http://www.phenix-online.org/download/nightly_builds.cgi
Pavel.
On 9/10/10 8:09 AM, Young-Jin Cho wrote:
Hi Pavel, Recently I experienced similar to Christian's case: when I clicked that option from GUI, I got an error message but without click that option, everything was all right. (My phenix version is 1.6.4-486)
Young-Jin
On Sep 10, 2010, at 10:13 AM, Pavel Afonine wrote:
Hi Christian,
in the latest PHENIX version the nqh-flip option is enabled by default.
Pavel.
On 9/10/10 5:36 AM, Jeff Headd wrote:
Hi Christian,
The version of PHENIX that you are using is fairly old and as far as I can recall was released before I had completed the NQH-flips method. I would recommend upgrading to at least the most recent release or even the latest released nightly build. Both will have a functional NQH routine.
If you have any further questions please let me know.
Thanks, Jeff
On Fri, Sep 10, 2010 at 5:14 AM, Christian Roth
wrote: Dear all,
I put manually in the parameterfile from the gui the option nqh_flips=True. After the run starts, a popup comes up claiming about an invalid unsupported option and the refinement stops without producing any file, even not a log-file. Does the nqh option not longer exists or what happend here? I use at the moment phenix 1.6-289.
Thanks for your help.
Christian
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
Just to clarify, the issue is not GUI or Mac specific and is also not
a problem with the NQH-flip method. Rather, it is an issue with
PHENIX not properly throwing an error when the input model has two
atoms with the same chainID, residue number, and alternate conformer
code. For some reason PHENIX is not reporting this error (which it
should), but it is being caught by the NQH-flip methods (albeit not
gracefully).
Thanks again to Young-Jin for turning our attention to this error.
Jeff
On Thu, Sep 16, 2010 at 6:49 AM, Young-Jin Cho
Sorry for my previous e-mail. By accident, it was sent to everyone.
FYI. Mac GUI has somewhat a bug for this NQH-flip function that I mentioned earlier coupled with residue numbering. It is now in fixing process by Jeff.
Then have a good day!
Young-Jin
Hi Christian, FYI: in most recent development versions of PHENIX the NQH-flip is now turned on by default. Pavel. On 9/16/10 8:25 AM, Christian Roth wrote:
Dear all,
I installed a new version of phenix (1.6.4-486) and the NQH-flip function works fine (also from gui). Thanks a lot for your help
Christian
Am Freitag 10 September 2010 17:13:15 schrieb Pavel Afonine:
Hi Young-Jin,
could you please try the latest PHENIX version and see if it works. If it still doesn't work, please let us know and we will investigate.
http://www.phenix-online.org/download/nightly_builds.cgi
Pavel.
On 9/10/10 8:09 AM, Young-Jin Cho wrote:
Hi Pavel, Recently I experienced similar to Christian's case: when I clicked that option from GUI, I got an error message but without click that option, everything was all right. (My phenix version is 1.6.4-486)
Young-Jin
On Sep 10, 2010, at 10:13 AM, Pavel Afonine wrote:
Hi Christian,
in the latest PHENIX version the nqh-flip option is enabled by default.
Pavel.
On 9/10/10 5:36 AM, Jeff Headd wrote:
Hi Christian,
The version of PHENIX that you are using is fairly old and as far as I can recall was released before I had completed the NQH-flips method. I would recommend upgrading to at least the most recent release or even the latest released nightly build. Both will have a functional NQH routine.
If you have any further questions please let me know.
Thanks, Jeff
On Fri, Sep 10, 2010 at 5:14 AM, Christian Roth
wrote: Dear all,
I put manually in the parameterfile from the gui the option nqh_flips=True. After the run starts, a popup comes up claiming about an invalid unsupported option and the refinement stops without producing any file, even not a log-file. Does the nqh option not longer exists or what happend here? I use at the moment phenix 1.6-289.
Thanks for your help.
Christian
phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
On Fri, Sep 10, 2010 at 8:09 AM, Young-Jin Cho
Recently I experienced similar to Christian's case: when I clicked that option from GUI, I got an error message but without click that option, everything was all right.
This isn't enough information for us to debug the problem. When reporting errors, you need to give us the exact message - otherwise there's nothing we can do to help. -Nat
participants (5)
-
Christian Roth
-
Jeff Headd
-
Nathaniel Echols
-
Pavel Afonine
-
Young-Jin Cho