# - Base directory for creating temporary working directories # Replace with your username. TMPDIR /local_homes/nhomeyer/work/chopin_testing/PKS13/AcylCarrier_PDB # - ModPipe results. # Replace with your username. DATDIR /local_homes/nhomeyer/work/chopin_testing/PKS13/AcylCarrier_PDB # - Template sequence database TEMPLATESEQDB /local_homes/nhomeyer/src/modpipe-2.2.0/database/pdb_95.bin # - PDB repository PDB_REPOSITORY /data/nhomeyer/work/data/pdbs_new/pdbs # - Database of structure profiles XPRF_LIST /local_homes/nhomeyer/src/modpipe-2.2.0/database/db/pdb95_prf.list XPRF_PSSMDB /local_homes/nhomeyer/src/modpipe-2.2.0/database/db/pdb95_prf.pssm # - Non-redundant sequence database (should be in binary form) NRSEQDB /local_homes/nhomeyer/src/modpipe-2.2.0/database/uniprot90 # -- NCBI Blast database (Specify only the base filename without extension) # This will be used to calculate the PSI-Blast profile NCBISEQDB /local_homes/nhomeyer/src/modpipe-2.2.0/database/uniprot90 # - Database tag; used to set names for profiles NRDBTAG uniprot90 # - TSVMod executables #TSVMODEXE /netapp/sali/ModPipe/database/TSVMod/programs/main/score_tsvmod.pl # - Profile update flag PRFUPDATE OFF # - Cutoff value for length of alignments MINALNLEN 30 # - Number of models per alignment NUMMODELS 5 # - Scheme to select the best model calculated for each alignment SELECT_MODEL_BY DOPEHR RETURN_MODELS BEST # -- Whether to include ligands/waters from the template in the modeling process HETATOMS OFF WATERS OFF # -- Parameters for clustering alignments # The condition is OVLP > CUT && PCOVLP > CUT && NONOVLP < CUT && # PCNONOVLP < CUT && IDCOL > CUT && PCIDCOL > CUT. # -------+++++++++++++ # +++++++++++++--------- # The '+' indicates the overlaping region & the '-' indicates # the non-overlapping region. CLUSTERALI ON ALICLUST_OVLP 0 ALICLUST_PCOVLP 60 ALICLUST_NONOVLP 20 ALICLUST_PCNONOVLP 20 ALICLUST_IDCOL 0 ALICLUST_PCIDCOL 80