Hi all,
our library sketcher all of a sudden started acting up after working just
fine.
- read in or draw a structure works fine,
- Create library description - a message pops up:
Error running Libcheck program see
/tmp/jabendroth/7547_tmp
Sorry - this means we can not list the monomers in the currently selected
library
- this file is shown below
- if the warning message is dismissed, all the fields in the create library
window are populated, hit run
Error: can't read "monomer_lib(typelist): no such variable
- the same happens on various computers and for different users
Any ideas?
Thanks a lot!
Jan
tmp file
#####################################################
--- LIBCHECK --- /Vers 4.1.3 ; 19.12.2002/
Do you want to have FILE-DOCUMENT /libcheck.doc/ ? /<N>/Y/A :
N - means without DOC-file
Y - with new contents
A - means to keep old contents and add new information
with DOC-file program creates batch file: libcheck.bat
_DOC:
#
# Keywords:
#
#FILE_L: < > - additional library, " " means without this file
#MON: < > - give info about this monomer
# if = * , give list all monomers in the library
#FILE_PDB: < > - input PDB_file ," " means without this file
#FILE_SMILE: < > - input SMILE_file ," " means without this fil e
# use keyword MON as compound_id
#FILE_CIF: < > - input CIFile ," " means without this file
#FILE_CSD: < > - input CSD CIFile," " means without this file
#HFLAG: <Y>/A/N - Y - hydrogen atoms where they are
# A - with all hydrogen atoms
# N - without hydrogen atoms
#IND: <N>/Y - Y - create index of mon_lib.cif
# output file: "new_mon_lib_ind.cif"
#FILE_O: <libcheck > - output files /library,coords,ps/, name without
# extention
#FILE_L2: < > - additional library (FILE_L) will be added to this library
# in this case program performs only adding
#ANGLE: <0.0> - rotation angle for picture ( around X )
#LIST: <M>/S/L - S short output, L - long, M - medium
#REF: <Y>/S,N,0 - 0 no refinement of new monomer
# N only crd->ang and ang->crd
# S plus torsion ref, Y plus restr.ref
#
#TEST: <0> - for program testing only
#COOR: <N>/Y - use Vobs from coords instead Videal
#LCOOR: <Y>/N - Y use coords from lib description
#NODIST: <N>/Y - Y not read the distributed library
# (only with FILE_L)
#SRCH: <N>/Y/0 - Y - global search, 0 - for MON from PDB_file
# (only with NODIST = N)
#--- type "keyword parameters" and/or ---
#--- press key "CR" to run program ---
--> --> MON : *
-------------
-------------
Keywords:
HFLAG : Y
COOR : N
LCOOR : Y
SRCH : N
REF : Y
NODIST: N
------------------------------
--- LIBRARY OF MONOMERS ---
_lib_name mon_lib
_lib_version 4.12
_lib_update 20/09/07
------------------------------
NUMBER OF MONOMERS IN THE LIBRARY : 2436
with complete description : 454
NUMBER OF MODIFICATIONS : 47
NUMBER OF LINKS : 64
ERROR: in LIB_CREATE_INDEX2: not memory enough:
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CCP4: Fatal error, see above.
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