Warning: no access to tty (Bad file descriptor). Thus no job control in this shell. 06-Dec-2005 20:55:29 n-1<26977> ssi:boot:base:linear: booting n0 (wolf01) n-1<26977> ssi:boot:base:linear: booting n1 (wolf02) n-1<26977> ssi:boot:base:linear: booting n2 (wolf03) n-1<26977> ssi:boot:base:linear: booting n3 (wolf04) n-1<26977> ssi:boot:base:linear: booting n4 (wolf05) n-1<26977> ssi:boot:base:linear: booting n5 (wolf06) n-1<26977> ssi:boot:base:linear: booting n6 (wolf07) n-1<26977> ssi:boot:base:linear: booting n7 (wolf08) n-1<26977> ssi:boot:base:linear: booting n8 (wolf09) n-1<26977> ssi:boot:base:linear: booting n9 (wolf10) n-1<26977> ssi:boot:base:linear: booting n10 (wolf11) n-1<26977> ssi:boot:base:linear: booting n11 (wolf12) n-1<26977> ssi:boot:base:linear: booting n12 (wolf13) n-1<26977> ssi:boot:base:linear: finished LAM 7.2b1svn10112005/MPI 2 C++/ROMIO - Indiana University ___________________________________________________________________ CYANA 2.1 (intel-lam) Copyright (c) 2002-05 Peter Guntert. All rights reserved. ___________________________________________________________________ Library file "/user/cyana-2.1/lib/cyana.lib" read, 37 residue types. Sequence file "znf42.seq" read, 219 residues. Symmetric dimer: Molecule 1: residues 35..128 Molecule 2: residues 335..428 403 identity constraints created. 8836 symmetry constraints created. cyana> cyana> cyana> - znf42: ./init - init: read lib /user/cyana-2.1/lib/cyana.lib Library file "/user/cyana-2.1/lib/cyana.lib" read, 37 residue types. - init: read seq znf42.seq Sequence file "znf42.seq" read, 219 residues. - init: molecules define 35..128 335..428 Symmetric dimer: Molecule 1: residues 35..128 Molecule 2: residues 335..428 - init: molecule identity 403 identity constraints created. - init: molecule symdist "CA 35..128" "CA 335..428" 8836 symmetry constraints created. - znf42: read upl znf42_dimer.upl Distance constraint file "znf42_dimer.upl" read, 4306 upper limits, 4306 assignments. - znf42: read aco znf42.aco Angle constraint file "znf42.aco" read, 264 constraints for 264 angles. - znf42: calc_all structures=100 command=anneal steps=10000 100 structures selected. 100 random structures created (seed 35671). Structure annealed in 44 s, f = 18.5934. Structure annealed in 44 s, f = 16.3709. Structure annealed in 45 s, f = 16.0463. Structure annealed in 47 s, f = 23.6275. Structure annealed in 45 s, f = 16.1210. Structure annealed in 44 s, f = 21.3323. Structure annealed in 45 s, f = 18.6435. Structure annealed in 45 s, f = 17.9025. Structure annealed in 45 s, f = 21.7531. Structure annealed in 44 s, f = 15.7984. Structure annealed in 45 s, f = 33.7166. Structure annealed in 44 s, f = 18.5155. Structure annealed in 45 s, f = 16.0094. Structure annealed in 45 s, f = 16.6082. Structure annealed in 45 s, f = 15.1930. Structure annealed in 45 s, f = 16.9788. Structure annealed in 45 s, f = 16.0050. Structure annealed in 45 s, f = 22.5118. Structure annealed in 45 s, f = 18.9416. Structure annealed in 45 s, f = 18.6771. Structure annealed in 45 s, f = 23.3800. Structure annealed in 45 s, f = 20.3177. Structure annealed in 45 s, f = 14.8762. Structure annealed in 45 s, f = 19.3427. Structure annealed in 45 s, f = 26.2560. Structure annealed in 45 s, f = 14.3448. Structure annealed in 44 s, f = 26.0485. Structure annealed in 45 s, f = 14.9013. Structure annealed in 45 s, f = 23.3050. Structure annealed in 45 s, f = 20.6637. Structure annealed in 45 s, f = 19.8430. Structure annealed in 45 s, f = 15.6743. Structure annealed in 45 s, f = 15.4047. Structure annealed in 45 s, f = 16.6571. Structure annealed in 45 s, f = 21.4445. Structure annealed in 45 s, f = 16.5078. Structure annealed in 45 s, f = 26.4620. Structure annealed in 45 s, f = 19.4317. Structure annealed in 45 s, f = 15.9375. Structure annealed in 45 s, f = 15.1464. Structure annealed in 45 s, f = 16.1870. Structure annealed in 44 s, f = 15.4409. Structure annealed in 44 s, f = 15.5230. Structure annealed in 45 s, f = 19.3788. Structure annealed in 45 s, f = 18.6381. Structure annealed in 45 s, f = 14.9545. Structure annealed in 45 s, f = 17.0177. Structure annealed in 45 s, f = 15.6583. Structure annealed in 44 s, f = 16.0339. Structure annealed in 45 s, f = 17.3080. Structure annealed in 44 s, f = 14.3808. Structure annealed in 45 s, f = 14.9905. Structure annealed in 45 s, f = 17.6817. Structure annealed in 45 s, f = 14.5688. Structure annealed in 45 s, f = 21.2488. Structure annealed in 45 s, f = 14.7612. Structure annealed in 45 s, f = 15.5179. Structure annealed in 45 s, f = 23.7516. Structure annealed in 45 s, f = 17.4982. Structure annealed in 45 s, f = 18.1734. Structure annealed in 45 s, f = 16.5289. Structure annealed in 45 s, f = 19.2454. Structure annealed in 45 s, f = 16.9939. Structure annealed in 45 s, f = 15.6615. Structure annealed in 45 s, f = 15.7712. Structure annealed in 45 s, f = 14.7886. Structure annealed in 46 s, f = 15.7661. Structure annealed in 45 s, f = 21.9341. Structure annealed in 45 s, f = 16.1444. Structure annealed in 45 s, f = 17.8184. Structure annealed in 45 s, f = 15.2206. Structure annealed in 45 s, f = 21.9540. Structure annealed in 45 s, f = 15.6799. Structure annealed in 45 s, f = 22.4402. Structure annealed in 45 s, f = 21.0712. Structure annealed in 44 s, f = 15.5545. Structure annealed in 45 s, f = 165.809. Structure annealed in 45 s, f = 15.8550. Structure annealed in 45 s, f = 15.6331. Structure annealed in 44 s, f = 18.2319. Structure annealed in 45 s, f = 25.2121. Structure annealed in 45 s, f = 15.3678. Structure annealed in 45 s, f = 18.8623. Structure annealed in 45 s, f = 17.3141. Structure annealed in 45 s, f = 15.1001. Structure annealed in 46 s, f = 25.1804. Structure annealed in 45 s, f = 26.4975. Structure annealed in 45 s, f = 18.5606. Structure annealed in 45 s, f = 18.8782. Structure annealed in 45 s, f = 18.5130. Structure annealed in 45 s, f = 17.2042. Structure annealed in 45 s, f = 15.1109. Structure annealed in 45 s, f = 24.5282. Structure annealed in 45 s, f = 20.5170. Structure annealed in 45 s, f = 20.6147. Structure annealed in 45 s, f = 16.1842. Structure annealed in 45 s, f = 27.8604. Structure annealed in 45 s, f = 19.8042. Structure annealed in 45 s, f = 15.5644. Structure annealed in 45 s, f = 18.4555. 100 structures finished in 188 s (1 s/structure). - znf42: overview znf42.ovw structures=20 pdb Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 14.34 46 0.0237 0.76 14 22.5 0.29 8 1.5246 10.07 2 14.38 42 0.0234 0.76 14 22.2 0.35 6 1.5278 10.59 3 14.57 45 0.0237 0.77 8 20.2 0.28 6 1.4595 9.59 4 14.76 51 0.0241 0.79 4 22.5 0.29 8 1.5520 9.24 5 14.79 50 0.0237 0.77 11 22.0 0.30 8 1.5573 10.28 6 14.88 42 0.0240 0.76 8 22.5 0.33 7 1.5385 10.01 7 14.90 53 0.0243 0.78 8 21.4 0.29 7 1.4770 9.00 8 14.95 44 0.0239 0.81 6 21.7 0.34 5 1.5240 11.01 9 14.99 44 0.0238 0.78 10 23.1 0.32 8 1.6466 11.57 10 15.10 52 0.0243 0.83 6 21.6 0.30 8 1.5471 8.79 11 15.11 47 0.0237 0.76 10 22.0 0.30 8 1.5299 10.05 12 15.15 47 0.0238 0.73 8 21.1 0.28 6 1.5236 9.80 13 15.19 54 0.0244 0.76 7 22.1 0.33 8 1.5636 10.05 14 15.22 49 0.0238 0.72 7 22.5 0.31 4 1.5057 9.77 15 15.37 46 0.0244 0.76 8 22.6 0.29 5 1.4483 9.79 16 15.40 42 0.0234 0.74 9 23.3 0.32 8 1.5170 10.18 17 15.44 44 0.0239 0.75 8 24.0 0.30 5 1.5529 9.91 18 15.52 49 0.0242 0.76 10 22.1 0.33 8 1.4644 9.64 19 15.52 49 0.0241 0.73 6 21.6 0.31 4 1.4661 9.87 20 15.55 45 0.0239 0.77 10 22.3 0.30 8 1.5007 9.71 Ave 15.06 47 0.0239 0.77 9 22.2 0.31 7 1.5213 9.95 +/- 0.36 4 0.0003 0.02 2 0.8 0.02 1 0.0447 0.61 Min 14.34 42 0.0234 0.72 4 20.2 0.28 4 1.4483 8.79 Max 15.55 54 0.0244 0.83 14 24.0 0.35 8 1.6466 11.57 Cut 0.20 0.20 5.00 Overview file "znf42.ovw" written. PDB coordinate file "znf42.pdb" written, 20 conformers. - znf42: ramaplot znf42.rama nobackground label Struct fav add gen dis ------ --- --- --- --- 1 134 16 2 0 2 132 18 2 0 3 132 18 2 0 4 132 20 0 0 5 129 21 2 0 6 130 20 2 0 7 134 16 2 0 8 132 18 2 0 9 130 18 4 0 10 131 21 0 0 11 132 18 2 0 12 132 18 2 0 13 132 18 2 0 14 132 18 2 0 15 130 20 2 0 16 130 20 2 0 17 130 20 2 0 18 131 19 2 0 19 136 14 2 0 20 132 18 2 0 all 86.6% 12.1% 1.2% 0.0% Postscript file "znf42.rama" written. cyana> LAM 7.2b1svn10112005/MPI 2 C++/ROMIO - Indiana University 06-Dec-2005 20:59:09