[sharp-discuss] autoSharp unble to utilize ArpWarp

[Debajyoti Dutta]

Hi Clemens,

Thank you so much. There was a problem with the density modification. I gave a single data containing iodine anomalous signal from home source and provided a partial structure. A new site is coming up but the density modification step there are some problem. For other data it is running well.

I will double check the output and will send you a summery. 

Thanks a lot.

Debajyoti

On Wed, 26 Jun 2013 22:15:47 +0530  wrote
>Dear Debajyoti,



On Mon, Jun 24, 2013 at 08:58:43AM -0000, Debajyoti Dutta wrote:

> I did the change in auto_tracing.sh



Good.



> but still it is generatinf different error below



Not good.



> NOTE  : using data from run MIR.1 in density modification [2] and automatic model building [1]

> 

>  (details)

> 

> ERROR  :-S problems during automatic building problems during automatic

>      building - see log file

> 

> 

> # -----------------------------------------------------------------

> # setting defaults:

> hls ........................ HLA,HLB,HLC,HLD

> fphi ....................... Fcent,PHIcent

> fp ......................... FP,SIGFP

> 

> ERROR: unable to MTZDUMP file eden_flat_53.1pc.mtz ERROR: file eden_flat_53.1pc.mtz not found 



Something must've happened before that stage: did the

density-modification go ok? Can you look at the 53.1% SOLOMON map

(meaning the eden_flat_53.1pc.mtz file must be there)?



What is the exact sequence of denmod/building steps that are

happening? If possible, can you send us (off-list) a tarball using



 cd /where/ever/sharpfiles/logfiles

 tar -cvf ~/for_sharp-develop.tar MIR*/LIST*html MIR*/*/LIST*HTML



which might be more revealing?



Cheers



Clemens (for sharp-develop)



-- 



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* Clemens Vonrhein, Ph.D.   vonrhein AT GlobalPhasing DOT com

*

* Global Phasing Ltd.

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