[phenixbb] Rosetta

[Nora Cronin]

I get an error in reading the .hhr file:

Loading PDB and alignment files from /work/ncronin/cdc23/23_HG_14/xds_Cdc23-23_HG_14w1_run1_1/phenix/MR_ROSETTA_5/WORK_1/5791278_1/5791278_ed.hhr
Log file for mr_model_preparation is: /work/ncronin/cdc23/23_HG_14/xds_Cdc23-23_HG_14w1_run1_1/phenix/MR_ROSETTA_5/WORK_1/5791278_1/mr_model_preparation.log 

******************* ERROR ENDING ***************
Uninterpretable: 'Q ss_pred             hhhHHHHHHHHHhc---CCCcccHHHHHHHHHHHHhHhhhHhHHhhhcCCCccccchhHHHHHHHHHHHHhccCCCCchh\nQ                  82 DCKEFERAAYTLQN---CKSSKSIFLRLYSKYLAGEKKSEEENETLLNTNLTLSSTNREFYYISEVLESLHYQGNKDPYL  158 (285)\nQ Consensus        82 ~~~~~~~A~~~l~~---~~~~~~~~~~~~~~~l~~~~~~~~~~~~~~~~~~~~~~~~~l~~a~~~~~~~~~~~~~~~~~~  158 (285)\n                      ..|+|++|+..+++   .+.....+...+.......+..+                    ++..++++++. .|.+..+\nT Consensus        35 elG~y~~Ai~~~~~al~~~p~~~~~~~~lg~~~~~~g~~~~--------------------A~~~~~~al~~-~p~~~~~   93 (243)\nT 2q7f_A           35 EFGDYEKAAEAFTKAIEENKEDAIPYINFANLLSSVNELER--------------------ALAFYDKALEL-DSSAATA   93 (243)\nT ss_dssp             -------CCTTHHHHHTTCTTCHHHHHHHHHHHHHTTCHHH--------------------HHHHHHHHHHH-CTTCHHH\nT ss_pred             HcCCHHHHHHHHHHHHHhCCCCHHHHHHHHHHHHHCCCHHH--------------------HHHHHHHHHhc-CCccHHH\n\n\nQ ss_pred             HHHHHHHHHHcCCHHHHHHHHHHHHHhCCCCHHHHHHHHHHHhcHHHHHHHH-------HhCCcccHHHHHHHHHHHHHH\nQ                 159 LYLSGVVYRKRKQDSKAIDFLKSCVLKAPFFWSAWLELSLSIDSLETLTTVV-------SQLPSTHIMTKIFYVYASHEL  231 (285)\nQ Consensus       159 ~~~~g~~~~~~~~~~~A~~~~~~al~~~p~~~~~~~~l~~~~~~~~~~~~al-------~~~p~~~~~~~~~~~~~~~~~  231 (285)\n                      +..+|.++...+++++|+..|.+++...|.+...+..++.++...++++.++       ...| ....+..+|.++...\nT Consensus        94 ~~~l~~~~~~~~~~~~a~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~A~~~~~~~~~~~~-~~~~~~~~l~~~~~~~  172 (243)\nT 2q7f_A           94 YYGAGNVYVVKEMYKEAKDMFEKALRAGMENGDLFYMLGTVLVKLEQPKLALPYLQRAVELNE-NDTEARFQFGMCLANE  172 (243)\nT ss_dssp             HHHHHHHHHHTTCHHHHHHHHHHHHHHTCCSHHHHHHHHHHHHHTSCHHHHHHHHHHHHHHCT-TCHHHHHHHHHHHHHH\nT ss_pred             HHHHHHHHHHhccchhhHHHHHHHHhhhhhhHHHHHHHHHHHHHHHhHHHHHHHHHHHHHhCC-ccHHhhhhhhhhhhhc\n\n\nQ ss_pred             hcchHHHHHHHHHHHhhCCCChHHHHHHHHHHHHhcCHHHHHHHHHHHHHHCcC\nQ                 232 HQVNSSAYEKLAEAEIIFPNSRYLKTQRALLTYDSRDFDEAESLFENILTNDPA  285 (285)\nQ Consensus       232 ~~~~~A~~~~~~~al~~~p~~~~~~~~la~~~~~~~~~~~A~~~~~~al~~~P~  285 (285)\n                      +++++|+ .++++++..|+++.++..+|.++..+|++++|+.+|+++++++|+\nT Consensus       173 ~~~~~A~-~~~~~ai~~~p~~~~~~~~lg~~~~~~g~~~~A~~~~~kal~l~P~  225 (243)\nT 2q7f_A          173 GMLDEAL-SQFAAVTEQDPGHADAFYNAGVTYAYKENREKALEMLDKAIDIQPD  225 (243)\nT ss_dssp             TCCHHHH-HHHHHHHHHCTTCHHHHHHHHHHHHHTTCTTHHHHHHHHHHHHCTT\nT ss_pred             ccHHHHH-HHHHHHHHHCCCCHHHHHHHHHHHHHcCCHHHHHHHHHHHHHhCCC'

******************* ERROR ENDING ***************

Can you help

Best regards

Nora

On 19 Apr 2011, at 16:25, Thomas C. Terwilliger wrote:

> Hi Nora,
> 
> AutoSol will only take a single "crystal_info", and assumes that all data
> that you give it is referring to a single crystal form, with
> (approximately) the same cell dimensions for all datasets.
> 
> If you have multiple crystal forms, or crystals with substantially (more
> than about 1-2 percent) different cells, then you will want to solve them
> separately.  You can then combine information with
> phenix.multi_crystal_average if you want.
> 
> Let me know if that doesn't help with your two questions!
> All the best,
> 
> -Tom T
> 
>>> Whilst I can input SAD SAD data ie two different SAD datasets using
>>> Group =1 and Group =2 with the "Wavelength" keyword, how do I input 2
>>> different crystals using the "crystal_info" keyword which does not
>>> recognize Group =
>>> 
>>> Inputting .sca unmerged anomalous data how do I input data for 2 different
>>> crystal_info keywords with different heavy atoms and different unit cells?
>>> 
>>> thanks
>>> 
>>> Nora
>>> 
>>> 
>>> Dr N B Cronin
>>> X-Ray Laboratory Manager               Tel. (+44) 020 7153 5445
>>> Section of Structural Biology             Fax. (+44) 020 7153 5457
>>> Chester Beatty Laboratories		mobile: (+44) 07787554059
>>> The Institute of Cancer Research
>>> 237 Fulham Road
>>> London
>>> SW3 6JB
>>> 
>>> 
>>> 
>>> 
>>> 
>>> 
>>> 
>>> The Institute of Cancer Research: Royal Cancer Hospital, a charitable
>>> Company Limited by Guarantee, Registered in England under Company No.
>>> 534147 with its Registered Office at 123 Old Brompton Road, London SW7
>>> 3RP.
>>> 
>>> This e-mail message is confidential and for use by the addressee only.  If
>>> the message is received by anyone other than the addressee, please return
>>> the message to the sender by replying to it and then delete the message
>>> from your computer and
>>> network._______________________________________________
>>> phenixbb mailing list
>>> phenixbb at phenix-online.org
>>> http://phenix-online.org/mailman/listinfo/phenixbb
>>> 
> 
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb

Dr N B Cronin
X-Ray Laboratory Manager               Tel. (+44) 020 7153 5445
Section of Structural Biology             Fax. (+44) 020 7153 5457
Chester Beatty Laboratories		mobile: (+44) 07787554059
The Institute of Cancer Research     
237 Fulham Road                               
London
SW3 6JB







The Institute of Cancer Research: Royal Cancer Hospital, a charitable Company Limited by Guarantee, Registered in England under Company No. 534147 with its Registered Office at 123 Old Brompton Road, London SW7 3RP.

This e-mail message is confidential and for use by the addressee only.  If the message is received by anyone other than the addressee, please return the message to the sender by replying to it and then delete the message from your computer and network.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20110519/3f514beb/attachment.htm>