Re: [ccp4bb] Error with scala after combat

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CCP4bb <-- 2007 <-- April 2007 <-- 27 April 2007

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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

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From: Philippe DUMAS p {- dot -} dumas {- at -} IBMC {- dot -} U-STRASBG {- dot -} FR
Date: 2007-04-27

Subject: Re: Error with scala after combat
From: Phil Evans pre {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK
Date: 2007-04-27

I believe this is a combination of errors in COMBAT (not setting cell
constraint flags correctly) and SCALA (not detecting properly that
they are unset)

I believe that I have fixed the Scala error in my latest version

ftp://ftp.mrc-lmb.cam.ac.uk/pub/pre/scala_3.2.28.tar.gz

(I hope!)

There needs to be a better way of getting XDS data into Scala, and I
do intend to do this at some point (but not this week)

sorry about this
Phil

On 27 Apr 2007, at 09:33, Stein, ND (Norman) wrote:

> 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

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CCP4bb <-- 2007 <-- April 2007 <-- 27 April 2007

Previous message:
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

Next message:
Subject: Re: Structures with pseudo-uridine?
From: Philippe DUMAS p {- dot -} dumas {- at -} IBMC {- dot -} U-STRASBG {- dot -} FR
Date: 2007-04-27