[sharp-discuss] solvent flattening error in p61 and p6522

[Stefan T. Arold]

Dear all,

Using autoSHARP (sharp2.0.4. for irixn32, sushi 3.2.3.) in P61 and in 
P6522 we run into the following errors during the solvent flattening 
step : (see below)

Thanks for any suggestions and/or workarounds!!

Best regards
Stefan




1. Automatic density modification (original hand)
    (details) - assuming 1 molecule in asymmetric unit :
UX:awk: ERROR: Record `VERS MTZ:V1.1 TITLE ...' has too many fields 
UX:awk: INFO: Input record number 30512 UX:awk: INFO: Source line number 2
/RX2/progs/sharp/bin/sharp/uniqueify.sh[125]: test: argument expected


[click on 'details'] gives:

       2.1.1 Using solvent content 63.0 %
    (details)

  ERROR   : unable to determine correlation!

[click on 'details'] gives:

/RX2/progs/sharp/bin/sharp/solomon.sh[2228]: 473776 Memory fault
  ERROR: unable to substract FH/PHIH from Fmodori/PHImodori!
         Have a look in solo_63.0pc/t_sftools_cycle1.log

[click on 'solo_63.0pc/t_sftools_cycle1.log'] gives:



OPTIONS ARE:

     ABSENT      MODE      CALC  CHECKHKL  COMPLETE    CORREL
     DELETE    EXPAND       FFT    FOURPT    HLCONV       I2F
       LIST       MAP    MAP2SF     MAPIN  MAPLIMIT    MAPOUT
    MAPSTAT     MERGE   OPTION1   PHASHFT      PLOT     PURGE
       READ    REDUCE   REINDEX     RFREE    SELECT       SET
       SORT      STOP    WINDOW     WRITE

 >> give your option (or hit <return> to list options)

selected: MODE


   SFTOOLS is now in BATCH mode

 >> give your option (or hit <return> to list options)

selected: READ



  OPENED INPUT MTZ FILE
  Logical Name: solo_63.0pc/t_mtzutils_4_cycle1.mtz   Filename: 
solo_63.0pc/t_mtzutils_4_cycle1.mtz


Reading file : solo_63.0pc/t_mtzutils_4_cycle1.mtz 

With format  : MTZ

   !!! WARNING, sort order improper !!!

   Sort order will be set to 1 2 3
   Use option SORT [h k l] later if needed
The following columns will be read:

TYPE  LABEL
===========

   F   FP 

   Q   SIGFP 

   P   PHIcent 

   W   FOM 

   A   HLA 

   A   HLB 

   A   HLC 

   A   HLD 

   F   FH 

   P   PHIH 

   F   FCmapori 

   P   PHICmapori 

   F   FCmapoff 

   P   PHICmapoff 

   F   DELFWT 

   P   PHDELFWT 

   F   Fmodoff 

   P   PHImodoff 

   W   FOMCMB1 

   P   PHCMB1 

   I   NUMORB 

   F   Fmodori 

   P   PHImodori 

   !!! Error, too large indices (> 512) occur !!!
   !!! Fatal error while reading reflections !!!
             0 reflections read successfully
   Trying to clean up the mess
   Deleting new columns
   Deleting new reflections

  give READ HELP to get more information


 >> give your option (or hit <return> to list options)


OPTIONS ARE:

     ABSENT      MODE      CALC  CHECKHKL  COMPLETE    CORREL
     DELETE    EXPAND       FFT    FOURPT    HLCONV       I2F
       LIST       MAP    MAP2SF     MAPIN  MAPLIMIT    MAPOUT
    MAPSTAT     MERGE   OPTION1   PHASHFT      PLOT     PURGE
       READ    REDUCE   REINDEX     RFREE    SELECT       SET
       SORT      STOP    WINDOW     WRITE

 >> give your option (or hit <return> to list options)

selected: CALC


   Destination column created with label:
  Ftmp

   Destination column created with label:

  PHItmp
   !!! WARNING, column label does not exist !!!

   Check spelling or use the column number

   Check your spelling and/or use option:
   LIST LABELS to get a list of valid names

  give CALC HELP to get more information


 >> give your option (or hit <return> to list options)

selected: DELETE


   WARNING: no columns specified

  give DELETE HELP to get more information


 >> g

-- 
==================================================
Stefan T. Arold, PhD
Centre de Biochimie Structurale
UMR 50848 CNRS - UMR 554 INSERM - UM1
Faculte de Pharmacie
15, Av. Charles Flahault
F-34093 Montpellier CEDEX 5
email: S.Arold at cbs.cnrs.fr
Phone: +33 (0)4.67.04.34.34
Fax:   +33 (0)4.67.52.96.23
==================================================