[sharp-discuss] Trivial problem?

[Petr Leiman]

Yes, this problem drove me crazy. The exact reasons for it are unclear to me, but it appears to have been caused by updating the ccp4 suite. On all of our systems the most recent version of the ccp4 package is soft-linked as /blah/blah/blah/current. I guess sharp used bits and pieces from two different distros (one with the 'current' soft link and the other with the full directory name) and this confused it greatly. 

Solution: Make sure that old ccp4 distro is not sourced in any of your start-up shell scripts and no remnants of its path variable are left in your current PATH. Then reinstall sharp. 

Sincerely,

Petr

------------------------
Petr Leiman
EPFL
BSP-415
CH-1015 Lausanne

________________________________________
From: sharp-discuss-bounces at globalphasing.com [sharp-discuss-bounces at globalphasing.com] on behalf of Luca Pellegrini [lp212 at cam.ac.uk]
Sent: Tuesday, November 22, 2011 17:01
To: sharp-discuss at globalphasing.com
Subject: [sharp-discuss] Trivial problem?

Hello,

I am having an apparently trivial problem that I can't seem to figure out. I am trying to run Sharp in MAD mode, using peak (F_peak) and inflexion data (F_infl). When I start Sharp, it complains that it can't find Fs  of the correct type F in my file:

ERROR
 : No column "F_peak" of type "F" found in file
           /usr/local/sharp-2.6/users/lp212/None.sharp/datafiles/npi-esrf14.4.data.mtz!

As far as I can tell, the mtz file looks ok. I report below the mtzdump of my mtz file. Can anyone please help?

Thanks,
Luca

***mtzdump***

 OPENED INPUT MTZ FILE
 Logical Name: HKLIN   Filename: /usr/local/sharp-2.6/users/lp212/None.sharp/datafiles/npi-esrf14.4.data.mtz


 Spacegroup information obtained from library file:
 Logical Name: SYMINFO   Filename: /sw/share/xtal/ccp4-6.2.0/lib/data/syminfo.lib

 * Title:

 npi esrf14.4 24october2011 Scala of ID29Oct11 H3 data

 * Base dataset:

        0 HKL_base
          HKL_base
          HKL_base

 * Number of Datasets = 3

 * Dataset ID, project/crystal/dataset names, cell dimensions, wavelength:

        1 New
          New
          New
            154.7187  154.7187  145.2614   90.0000   90.0000  120.0000
             0.99188
        2 SeHM10N52
          C5_9
          Peak
            152.5392  152.5392  141.8202   90.0000   90.0000  120.0000
             0.97920
        3 SeHM10N52
          C5_9renamed
          Infl
            152.5300  152.5300  141.9500   90.0000   90.0000  120.0000
             0.97950

 * Number of Columns = 17

 * Number of Reflections = 23536

 * Missing value set to NaN in input mtz file

 * HISTORY for current MTZ file :

 From FREERFLAG  6/10/2011 16:10:00 with fraction 0.050
 data from CAD on  6/10/11
 data from CAD on 18/11/11

 * Column Labels :

 H K L FreeR_flag F_nat SIGF_nat ISYM_nat F_peak SIGF_peak DANO_peak SIGDANO_peak ISYM_peak F_infl SIGF_infl DANO_infl SIGDANO_infl ISYM_infl

 * Column Types :

 H H H I F Q Y F Q D Q Y F Q D Q Y

 * Associated datasets :

 0 0 0 0 1 1 1 2 2 2 2 2 3 3 3 3 3

 * Cell Dimensions : (obsolete - refer to dataset cell dimensions above)

  154.7187  154.7187  145.2614   90.0000   90.0000  120.0000

 *  Resolution Range :

    0.00010    0.10905     (     98.489 -      3.028 A )

 * Sort Order :

      1     2     3     0     0

 * Space group = 'H 3' (number     146)

  (spacegroup is known)


Luca Pellegrini
Department of Biochemistry
University of Cambridge
80 Tennis Court Road
Cambridge CB2 1GA - UK

Email: lp212 at cam.ac.uk
Tel: 0044-1223-760469
Fax: 0044-1223-766002
Sanger building, room 3.59







_______________________________________________
sharp-discuss mailing list
sharp-discuss at globalphasing.com
https://www.globalphasing.com/mailman/listinfo/sharp-discuss