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Increased noe restraints array size in scoring modules - issue #1501 #1502

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Merged
amjjbonvin merged 1 commit into from
Apr 8, 2026
+3 −2
Merged

Increased noe restraints array size in scoring modules - issue #1501 #1502

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1 change: 1 addition & 0 deletions CHANGELOG.md
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# Changelog

- 2026-04-08: Increased NOE restraints array size in scoring modules - Issue #1501
- 2026-03-09: Automated type casting for optional argument seed in haddock3-restraints random_removal - Issue #1485
- 2026-02-28: Switched to ilRMSD clustering from protein-ligand examples - Issue #1481
- 2026-02-24: Implement automated toppar generation for unknown atoms with PRODRG
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2 changes: 1 addition & 1 deletion src/haddock/modules/scoring/emscoring/cns/restrain-ions.cns
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! * as part of this package. *
! ***********************************************************************
!
noe class dist end
noe nres=10000 class dist end

! first deal with monoatomic ions
evaluate ($pcount = 0)
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2 changes: 1 addition & 1 deletion src/haddock/modules/scoring/mdscoring/cns/restrain-ions.cns
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Expand Up @@ -10,7 +10,7 @@
! * as part of this package. *
! ***********************************************************************
!
noe class dist end
noe nres=10000 class dist end

! first deal with monoatomic ions
evaluate ($pcount = 0)
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