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655963e
add -mm 8/9
huiwenke Mar 11, 2026
b961c06
Merge branch 'devel'
huiwenke Mar 12, 2026
f5edc01
-mm 7/8/9 allow -u/-L
huiwenke Apr 21, 2026
d5f7abc
flex_bisection init
huiwenke Apr 29, 2026
521925f
flex_bisection init
huiwenke Apr 29, 2026
8eaf54a
flexalign code improve
huiwenke Apr 30, 2026
83cc860
add -mm 10
huiwenke Apr 30, 2026
8ec6f85
Merge branch 'devel'
huiwenke Apr 30, 2026
e24f5cd
Merge branch 'master' of https://github.com/huiwenke/USalign
huiwenke May 1, 2026
1601e48
add -TMflex
huiwenke May 1, 2026
a7f5858
rewrite -mm 10
huiwenke May 12, 2026
692f13a
rewrite -mm 10
huiwenke May 12, 2026
610fcbe
rewrite -mm 10
huiwenke May 12, 2026
5abc15d
-mm 10 bugfix
huiwenke May 13, 2026
94d07da
-mm 10 bugfix
huiwenke May 13, 2026
40fece5
-mm 10 penalty update
huiwenke May 14, 2026
938dda2
-mm 10 polish
huiwenke May 16, 2026
990b3e5
-mm 10 Run through both sets of bounds
huiwenke May 19, 2026
4878550
DEBUG: Print the end-to-end continuous regions sent to flexalign
huiwenke May 21, 2026
3ad7b32
Merge branch 'pylelab:master' into devel
huiwenke May 26, 2026
aedce15
Merge branch 'devel' of https://github.com/huiwenke/USalign into devel
huiwenke May 26, 2026
9c3c424
add -hinge
huiwenke May 26, 2026
3fbe0cd
Merge branch 'master' of https://github.com/huiwenke/USalign
huiwenke Jun 1, 2026
447b306
Merge branch 'master' into devel
huiwenke Jun 1, 2026
e0cb6b1
Wrapper for generating bounds with specific parameter sets
huiwenke Jun 3, 2026
601e5f4
added the logic to skip boundary processing and set hinge_opt to 0 fo…
huiwenke Jun 3, 2026
8bbcde6
Merge branch 'pylelab:master' into devel
huiwenke Jun 3, 2026
fe6d9d2
strict hinge
huiwenke Jun 6, 2026
b2c1da9
add debug
huiwenke Jun 6, 2026
3a47385
Merge branch 'pylelab:master' into devel
huiwenke Jun 15, 2026
e3646e9
rename symbol
huiwenke Jun 16, 2026
9b42a79
merge all flexalign to -mm 7
huiwenke Jun 29, 2026
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3 changes: 3 additions & 0 deletions .gitignore
Original file line number Diff line number Diff line change
Expand Up @@ -5,6 +5,8 @@
.*.sw*

# binary executables
addChainID
biounitasym
cif2pdb
TMalign
TMalignc
Expand All @@ -25,4 +27,5 @@ ca2rr
*.zip

.idea
.gitignore
cmake-build-debug
1,051 changes: 549 additions & 502 deletions MMalign.cpp

Large diffs are not rendered by default.

4 changes: 2 additions & 2 deletions MMalign.h
Original file line number Diff line number Diff line change
Expand Up @@ -1279,7 +1279,7 @@ double MMalign_search(
d0_0, TM_0, d0A, d0B, d0u, d0a, d0_out, seqM, seqxA, seqyA,
do_vec, rmsd0, L_ali, Liden, TM_ali, rmsd_ali, n_ali, n_ali8,
xlen, ylen, sequence, Lnorm_ass, d0_scale,
i_opt, false, true, false, fast_opt, mol_type, -1);
i_opt, false, true, false, fast_opt, mol_type, -1, 0);

/* clean up */
delete [] seqx;
Expand Down Expand Up @@ -1460,7 +1460,7 @@ void MMalign_final(
d0A, d0B, d0u, d0a, d0_out, seqM, seqxA, seqyA, do_vec,
rmsd0, L_ali, Liden, TM_ali, rmsd_ali, n_ali, n_ali8,
xlen, ylen, sequence, Lnorm_ass, d0_scale,
3, a_opt, false, d_opt, fast_opt, mol_type, -1);
3, a_opt, false, d_opt, fast_opt, mol_type, -1, 0);

/* prepare full complex alignment */
string chainID1="";
Expand Down
816 changes: 435 additions & 381 deletions TMalign.cpp

Large diffs are not rendered by default.

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