Hello all-
I have been trying to use autobuild with a semet dataset. I have checked the "build semet residues" option in the autobuild gui. At some point after the composite build, the error below is generated and the final model has been stripped of all semethionines. I am using phenix version 1.8.4-1496 on a macbook. I have now downloaded the new version. But can someone expand on my problem. My input sequence and model pdb contain Methionine but I expected the rebuild process to alter them. Should I change the one letter code for semet from m to something else.
-Todd
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Final composite model # 1 : AutoBuild_run_11_/MULTIPLE_MODELS/model.pdb_1
Final composite mtz # 1 : AutoBuild_run_11_/MULTIPLE_MODELS/resolve_composite_map.mtz_1
AutoBuild_combine_iter AutoBuild Run 11 Wed Dec 10 14:51:18 2014
AutoBuild_combine AutoBuild Run 11 Wed Dec 10 14:51:18 2014
Done with combine
finished AutoBuild Run 11 Wed Dec 10 14:51:18 2014
Finishing AutoBuild Run 11
Facts written to AutoBuild_run_11_/AutoBuild_Facts.dat
Warnings:
Warning from subprocess run in AutoBuild_run_11_/TEMP0/AutoBuild_run_5_:
NOTE: The following residues (and similar residues) from
AutoBuild_run_5_/overall_ortho_best_bchain_molrep1_refmac1_semettomet_ed.pdb are not PROTEIN or do not
match the sequence and will not be part of the building process :
MSE B33, MSE B45, MSE B59, MSE B63, MSE B68, MSE B194, MSE B201, MSE B210, MSE B216, MSE B256, MSE B266, MSE B308, MSE A33, MSE A45, MSE A59, MSE A63, MSE A68, MSE A194, MSE A201, MSE A210, MSE A216, MSE A256, MSE A266, MSE A308, MSE C33, MSE C45, MSE C59, MSE C63, MSE C68, MSE C194, MSE C201, MSE C210, MSE C216, MSE C256, MSE C266, MSE C308, MSE D33, MSE D45, MSE D59, MSE D63, MSE D68, MSE D194, MSE D201, MSE D210, MSE D216, MSE D256, MSE D266, MSE D308,
Warning from subprocess run in AutoBuild_run_11_/TEMP0/AutoBuild_run_5_:
Warning: some residues not rebuilt successfully on cycle 2:
Chain 'A': 32, 44, 200, 217- 221, 280- 299, 314- 323,
Chain 'C': 22- 32, 39- 44, 148- 152, 163- 167, 188- 193, 211- 215, 217- 221, 334- 336,
Chain 'B': 32, 44, 118- 122, 193, 227- 231, 309- 318,
Chain 'D': 12- 32, 34- 44, 46- 50, 143- 147, 158- 162, 188- 193, 334- 336
Warning from subprocess run in AutoBuild_run_11_/TEMP0/AutoBuild_run_5_:
Warning: some residues not rebuilt successfully on cycle 3:
Chain 'A': 32, 39- 44, 193, 217- 226, 280- 294,
Chain 'C': 22- 32, 34- 44, 46- 55, 153- 162, 193, 200, 211- 215, 217- 221, 242- 246, 324- 336,
Chain 'B': 32, 44, 118- 122, 193, 262- 265, 319- 323,
Chain 'D': 17- 32, 34- 44, 46- 50, 143- 162, 188- 193, 200, 334- 336
