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