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:[EMAIL PROTECTED] 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
