An additional fix of Clemens' made in 3.2.29
ftp://ftp.mrc-lmb.cam.ac.uk/scala_3.2.29.tar.gz
Phil
On 27 Apr 2007, at 10:10, Clemens Vonrhein wrote:
> Hi Phil,
>
> these diffs I made to 3.2.27 - seem to fix some other things too.
>
> Cheers
>
> Clemens
>
> On Fri, Apr 27, 2007 at 09:50:16AM +0100, Phil Evans wrote:
>> 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:[log in to unmask]]On Behalf Of
>>> Paola Llinas
>>> Sent: 26 April 2007 15:28
>>> To: [log in to unmask]
>>> 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
>>
>
> --
>
> ***************************************************************
> * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com
> *
> * Global Phasing Ltd.
> * Sheraton House, Castle Park
> * Cambridge CB3 0AX, UK
> *--------------------------------------------------------------
> * BUSTER Development Group (http://www.globalphasing.com)
> ***************************************************************
> <scala.diff>
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