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Update usage and README for v2.2
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rcedgar committed Dec 29, 2024
1 parent 8b3a253 commit bcfd441
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3 changes: 2 additions & 1 deletion README.md
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Expand Up @@ -22,7 +22,8 @@ Search against database
reseek -search STRUCTS -db STRUCTS -output hits.txt -dbsize NR_CHAINS
# STRUCTS specifies structure(s), see below
# NR_CHAINS should be set to the total number of chains
# to get the best E-value estimates
# to get the best E-value estimates, if the database
# is chunked then should be sum over all chunks

Recommended format for large database is .bca, e.g.
reseek -convert /data/PDB_mirror/ -bca PDB.bca
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5 changes: 4 additions & 1 deletion src/usage.h
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Expand Up @@ -7,8 +7,11 @@ const char *usage_txt[] =
" -alignpair # Pair-wise alignment and superposition\n"
"\n"
"Search against database\n"
" reseek -search STRUCTS -db STRUCTS -output hits.txt\n"
" reseek -search STRUCTS -db STRUCTS -output hits.txt -dbsize NR_CHAINS\n"
" # STRUCTS specifies structure(s), see below\n"
" # NR_CHAINS should be set to the total number of chains\n"
" # to get the best E-value estimates, if the database\n"
" # is chunked then should be total over all chunks.\n"
"\n"
"Recommended format for large database is .bca, e.g.\n"
" reseek -convert /data/PDB_mirror/ -bca PDB.bca\n"
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