Update regression

Author: milot-mirdita

regression/data/msa.fasta

@@ -1,10 +1,10 @@
->d1b0ba_
--XLSAAQKDNVKSSWAKASAAWGTAGPEFFMALFDAHDDVFAKFSGLFSG-AAKG--TVKNTPEMAAQAQSFKGLVSNWVDNLDNAGALEGQCKTFAANHKA-RGISAGQLEAAFKVLAGFMK-SY--GG---DEGAWTAVAGALMGMIRPDM-------
->d1urva_
--ELSEAERKAVQAMWARLYANSEDVGVAILVRFFVNFPSAKQYF-S-QFK-HMEDPLEMERSPQLRKHASRVMGALNTVVENLHDPDKVSSVLALVGKAHALKHKVEPVYFKILSGVILEVVAEEFASDFPPETQRAWAKLRGLIYSHVTAAYKEVGW--
->d1q1fa_
-----RPESELIRQSWRVVSRSPLEHGTVLFARLFALEPSLLPLF-Q-YNGRQFSSPEDSLSSPEFLDHIRKVMLVIDAAVTNVEDLSSLEEYLTSLGRKH-RAVGVRLSSFSTVGESLLYMLEKSLGPDFTPATRTAWSRLYGAVVQAMSRGWDG-----
 >d1naza_
-MVLSEGEWQLVLHVWAKVEADVAGHGQDIYIRLFKSHPETLEK---FDRFKHLKTEAEMKASEDLKKQGVRVLTALGAILKK---KGHHEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGNFGADAQGAMNKALELFRKDIAAKYKELGYQG
+MVLSEGEWQLVLHVWAKVEADVAGHGQDIYIRLFKSHPETLEKFDRF-KHLKTEAEMKASEDLKKQGVRVLTALGAILKKK--GH-HEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRHPGNFGADAQGAMNKALELFRKDIAAKYKELGYQG
+>d1urva_
+-ELSEAERKAVQAMWARLYANSEDVGVAILVRFFVNFPSAKQYFSQF-KHMEDPLEMERSPQLRKHASRVMGALNTVVENLHDPDKVSSVLALVGKAHALKHKVEPVYFKILSGVILEVVAEEFASDFPPETQRAWAKLRGLIYSHVTAAYKEVGW--
 >d2w72b_
-MHLTPEEKSAVTALWGKV--NVDEVGGEAYGRLLVVYPWTQRF---FESFGDLSTPDAVMGNPKVKAQGKKVLGAFSDGLAH---LDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKY---H---
+MHLTPEEKSAVTALWGK--VNVDEVGGEAYGRLLVVYPWTQRFFESF-GDLSTPDAVMGNPKVKAQGKKVLGAFSDGLAHLDN---LKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH------
+>d1q1fa_
+----RPESELIRQSWRVVSRSPLEHGTVLFARLFALEPSLLPLFQYNGRQFSSPEDSLSSPEFLDHIRKVMLVIDAAVTNVEDLSSLEEYLTSLGRKH-RAVGVRLSSFSTVGESLLYMLEKSLGPDFTPATRTAWSRLYGAVVQAMSRGWDG-----
+>d1b0ba_
+-XLSAAQKDNVKSSWAKASAAWGTAGPEFFMALFDAHDDVFAKFSGLFS-GAAKGTVKNTPEMAAQAQSFKGLVSNWVDNLDNAGALEGQCKTFAAN-HKARGISAGQLEAAFKVLAGFMKSYG------GDEGAWTAVAGALMGMIRPDM-------

regression/regression/run_easymsa.sh

@@ -1,6 +1,6 @@
 #!/bin/sh -ex
 "$FOLDMASON" easy-msa --report-mode 1 --threads 1 $(find "$DATADIR" -type f -name 'd*') "${RESULTS}/easymsa" "${RESULTS}/tmp" > "${RESULTS}/easymsa.log"
-TARGET="0.791274"
+TARGET="0.801621"
 awk -v target="$TARGET" \
     '/Average MSA LDDT/ {print ($4 == target) ? "GOOD" : "BAD"; print "Expected: ", target; print "Actual: ", $4; }' \
     "${RESULTS}/easymsa.log" > "${RESULTS}.report"

regression/regression/run_msa2lddt.sh

@@ -1,7 +1,7 @@
 #!/bin/sh -ex
 "$FOLDMASON" createdb --threads 1 $(find "$DATADIR" -type f -name "d*") "${RESULTS}/structures"
 "$FOLDMASON" msa2lddt --threads 1 "${RESULTS}/structures" "${DATADIR}/msa.fasta" > "${RESULTS}/msa2lddt.log"
-TARGET="0.791274"
+TARGET="0.801621"
 awk -v target="$TARGET" \
     '/Average MSA LDDT/ {print ($4 == target) ? "GOOD" : "BAD"; print "Expected: ", target; print "Actual: ", $4; }' \
     "${RESULTS}/msa2lddt.log" > "${RESULTS}.report"