in: /home/mqapRNA/mqapRNAweb/media/jobs/45fc80e5-b27a-451d-a81f-992ef2aab7c7/45fc80e_raw.csv model_key: grid-8a6dfea4-1f6e-4354-9396-f727a5bd937a_model_14 Checking whether there is an H2O instance running at http://localhost:54321. connected. -------------------------- ------------------------ H2O cluster uptime: 19 days 22 hours 30 mins H2O cluster version: 3.10.4.5 H2O cluster version age: 2 months and 21 days H2O cluster name: magnus H2O cluster total nodes: 1 H2O cluster free memory: 1.399 Gb H2O cluster total cores: 8 H2O cluster allowed cores: 8 H2O cluster status: locked, healthy H2O connection url: http://localhost:54321 H2O connection proxy: H2O internal security: False Python version: 2.7.6 final -------------------------- ------------------------ Parse progress: [#########################################################] 100% deeplearning prediction progress: [#######################################] 100% deeplearning prediction progress: [#######################################] 100% mqapRNA --------- 1.55227 1.33169 1.53836 3.86214 3.50901 [5 rows x 1 column] fn ---------------------- 17_Das_4_rpr.pdb 17_Das_1_rpr.pdb 17_Bujnicki_7_rpr.pdb 17_Dohkolyan_1_rpr.pdb 17_Major_6_rpr.pdb [5 rows x 1 column] Exporting to /home/mqapRNA/mqapRNAweb/media/jobs/45fc80e5-b27a-451d-a81f-992ef2aab7c7/45fc80e_raw_mqapRNA.csv Export File progress: [###################################################] 100% clash_score analyze_geometry farna_rna_base_axis \ fn 17_Das_1_rpr.pdb 8.542714 17.7419 -25.941 17_Bujnicki_7_rpr.pdb 1.507538 11.2903 -26.410 17_Das_4_rpr.pdb 15.577889 22.5806 -26.525 17_Major_6_rpr.pdb 3.015075 51.6129 -12.245 17_Dohkolyan_1_rpr.pdb 23.618090 30.6452 -15.723 farna_rna_backbone_backbone \ fn 17_Das_1_rpr.pdb -0.781 17_Bujnicki_7_rpr.pdb -5.748 17_Das_4_rpr.pdb -1.027 17_Major_6_rpr.pdb -21.407 17_Dohkolyan_1_rpr.pdb -5.488 farna_rna_base_stack_axis farna_rna_base_stagger \ fn 17_Das_1_rpr.pdb -20.339 -102.772 17_Bujnicki_7_rpr.pdb -18.393 -104.358 17_Das_4_rpr.pdb -17.909 -108.973 17_Major_6_rpr.pdb -6.439 -59.165 17_Dohkolyan_1_rpr.pdb -5.096 -53.816 farna_rna_base_stack farna_rna_base_pair \ fn 17_Das_1_rpr.pdb -15.772 -210.313 17_Bujnicki_7_rpr.pdb -14.320 -215.780 17_Das_4_rpr.pdb -14.302 -221.889 17_Major_6_rpr.pdb -6.805 -167.109 17_Dohkolyan_1_rpr.pdb -5.149 -185.122 farna_rna_repulsive farna_rna_vdw ... \ fn ... 17_Das_1_rpr.pdb 10.926 0.849 ... 17_Bujnicki_7_rpr.pdb 7.509 6.818 ... 17_Das_4_rpr.pdb 13.636 0.960 ... 17_Major_6_rpr.pdb 53.658 13.997 ... 17_Dohkolyan_1_rpr.pdb 13.116 13.214 ... rnakb_proper_dih_all rnakb_improper_dih_all \ fn 17_Das_1_rpr.pdb 5729.50 0.646352 17_Bujnicki_7_rpr.pdb 5467.09 1.258950 17_Das_4_rpr.pdb 5667.75 0.623377 17_Major_6_rpr.pdb 6094.87 16.369100 17_Dohkolyan_1_rpr.pdb 7695.95 252.520000 rnakb_lj14_all rnakb_coulomb14_all rnakb_lj_sr_all \ fn 17_Das_1_rpr.pdb 0 0 -0.000757 17_Bujnicki_7_rpr.pdb 0 0 -0.000713 17_Das_4_rpr.pdb 0 0 -0.000784 17_Major_6_rpr.pdb 0 0 -0.000491 17_Dohkolyan_1_rpr.pdb 0 0 -0.000562 rnakb_coulomb_sr_all rnakb_potential_all \ fn 17_Das_1_rpr.pdb 0 14199.6 17_Bujnicki_7_rpr.pdb 0 16190.6 17_Das_4_rpr.pdb 0 14155.3 17_Major_6_rpr.pdb 0 16002.5 17_Dohkolyan_1_rpr.pdb 0 18771.2 rnakb_kinetic_en_all rnakb_total_energy_all mqapRNA fn 17_Das_1_rpr.pdb 9.484390e-10 14199.6 1.331693 17_Bujnicki_7_rpr.pdb 9.940500e-10 16190.6 1.538363 17_Das_4_rpr.pdb 9.508330e-10 14155.3 1.552271 17_Major_6_rpr.pdb 9.692650e-10 16002.5 3.509011 17_Dohkolyan_1_rpr.pdb 1.015730e-09 18771.2 3.862139 [5 rows x 94 columns] mqapRNA fn 17_Das_1_rpr.pdb 1.331693 17_Bujnicki_7_rpr.pdb 1.538363 17_Das_4_rpr.pdb 1.552271 17_Major_6_rpr.pdb 3.509011 17_Dohkolyan_1_rpr.pdb 3.862139 saved /home/mqapRNA/mqapRNAweb/media/jobs/45fc80e5-b27a-451d-a81f-992ef2aab7c7/45fc80e_mqapRNA.csv ploting H2O session _sid_b995 closed.