hello everyone,
I want to model a big protein (a trimer of about 840 aa)
using three template structures. When I try to model with
only one template there is no problem, when I add the
second template structure the program bombs in the way I
report below,
can someone help me, please?
Francesco
P.S. I'm running Modeller 6v2 on a RehHat 7.2 linux workstation
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TOP_________> 162 131 PICK_ATOMS PICK_ATOMS_SET = 3, ATOM_TYPES = 'CA'
Number of atoms to choose from, total : 19104 19104
Atom types to be searched for (ATOM_TYPES) : CA
Residue types to be searched for (RES_TYPES) : STD
Selection mode (SELECTION_MODE) : ATOM
What to do with atoms & sets (SELECTION_STATUS): INITIALIZE
SEGMENT search; residue range (2i5,2a5) : 1 2520 1: 2520:
selatm__462_> Number of selected atoms : 2520
List of segments of contiguous residues with at least one selected atom:
SEGMENT RESNUM AA --- RESNUM AA LEN
1 1 : MET --- 2520 : PHE 2520
TOP_________> 163 132 MAKE_RESTRAINTS RESTRAINT_TYPE = 'distance',
ADD_RESTRAIN;
TS = 'ON'
Dynamically allocated memory at amprmcns [B,kB,MB]: 121143079
118303.800 115.531
make_re_417_> Restraint type to be calculated: distance
r_dista_644W> Two basis restraints have means too far apart:
ICSR MEAN1 MEAN2 STDEV1 STDEV2 R.VIOL1 R.VIOL2
NEW_SD1 NEW_SD2
r_dista_644W> Two basis restraints have means too far apart:
ICSR MEAN1 MEAN2 STDEV1 STDEV2 R.VIOL1 R.VIOL2
NEW_SD1 NEW_SD2
r_dista_644W> Two basis restraints have means too far apart:
---------
a lot of these lines
---------
r_dista_644W> Two basis restraints have means too far apart:
ICSR MEAN1 MEAN2 STDEV1 STDEV2 R.VIOL1 R.VIOL2
NEW_SD1 NEW_SD2
r_dista_644W> Two basis restraints have means too far apart:
ICSR MEAN1 MEAN2 STDEV1 STDEV2 R.VIOL1 R.VIOL2
NEW_SD1 NEW_SD2
r_dista_644W> Two basis restraints have means too far apart:
ICSR MEAN1 MEAN2 STDEV1 STDEV2 R.VIOL1 R.VIOL2
NEW_SD1 NEW_SD2
r_dista_644W> Two basis restraints have means too far apart:
ICSR MEAN1 MEAN2 STDEV1 STDEV2 R.VIOL1 R.VIOL2
NEW_SD1 NEW_SD2
stdevs__397E> STDEV < 0: -0.0995
Set to 1E-5.
recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1
Dynamically allocated memory at finish [B,kB,MB]: 121143079
118303.800 115.531
Starting time : 2003/11/04
15:14:45.269
Closing time : 2003/11/04
15:16:33.274
Total CPU time [seconds] : 91.05
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Francesco Musiani
Department of Agro-Environmental Science and Technology
University of Bologna
Phone: 051-2096233 - 051-2096236 --- Fax. 051-2096203
mail: fmusiani(a)agrsci.unibo.it
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