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Re: [ccp4bb] Error with scala after combat
 

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CCP4bb <-- 2007 <-- April 2007 <-- 27 April 2007
Previous message:
Subject: Structures with pseudo-uridine?
From: Yuan Lin elam1978 {- at -} HOTMAIL {- dot -} COM
Date: 2007-04-26 		Next message:
Subject: Re: Error with scala after combat
From: Phil Evans pre {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK
Date: 2007-04-27


Subject: Re: Error with scala after combat
From: "Stein, ND (Norman)" n {- dot -} d {- dot -} stein {- at -} DL {- dot -} AC {- dot -} UK
Date: 2007-04-27
Hi Paola

This looks like a bug in Scala to me. The error message should only be printed out if the Relative Length Error exceeds 0.03 or the Angle error exceeds 0.5, whereas in your case both errors are zero. The relevant lines of code are a new addition in 6.0.2, which explains why you didn't have the problem with 6.0.1.

If you can send me your Scala input files and details of the commands you used to run Scala (e.g command line script or com file from ccp4i), I will look into it further.

Norman

Norman Stein
CCP4
Daresbury Laboratory


-----Original Message-----
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK]On Behalf Of
Paola Llinas
Sent: 26 April 2007 15:28
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Error with scala after combat


Hi everybody,

I process data with XDS, then I use Combat to import XDS ASCII data from
CORRECT in order to scale whit Scala but it doesn't work. The message error
is:

* Wavelength and cell extracted from Batch headers, with rms variation:
* Wavelength: 1.008000 Cell: 91.710 93.670 103.360 90.000
90.000 90.000
* rms 0.000000 rms 0.000 0.000 0.000 0.000
0.000 0.000

****ERROR: cell deviates too much from constraint ****
Relative length error 0.000 Angle error 0.00

>>> Cell constraints:

Scala: *** Error in batch cell dimensions ***

I changed ccp4 version from 6.0.1 to 6.0.2 this week and I has this problem
only with 6.0.2 version. (I verified with files that worked with the older
version and I have the same error).
Does somebody know how can I fix this problem?

Thanks,
Paola

CCP4bb navigation

CCP4bb <-- 2007 <-- April 2007 <-- 27 April 2007
Previous message:
Subject: Structures with pseudo-uridine?
From: Yuan Lin elam1978 {- at -} HOTMAIL {- dot -} COM
Date: 2007-04-26 		Next message:
Subject: Re: Error with scala after combat
From: Phil Evans pre {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK
Date: 2007-04-27


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