Commit83c72ac

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remove buried residues intrue_interface (#81)

* remove buried residues in `true_interface`* bump version

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Original file line number	Diff line number	Diff line change
`@@ -1,6 +1,6 @@`
`1`	`1`	`[package]`
`2`	`2`	`name ="haddock-restraints"`
`3`		`-version ="0.9.0"`
	`3`	`+version ="0.10.0"`
`4`	`4`	`edition ="2024"`
`5`	`5`	`description ="Generate restraints to be used in HADDOCK"`
`6`	`6`	`license ="MIT"`

Lines changed: 2 additions & 0 deletions

Original file line number	Diff line number	Diff line change
`@@ -40,6 +40,8 @@ pub fn true_interface(`
`40`	`40`	`letmut interactor =Interactor::new(target_idasu16);`
`41`	`41`	`interactor.set_chain(chain_id);`
`42`	`42`	`interactor.set_active(residues.iter().map(\|&residue\| residueasi16).collect());`
	`43`	`+ interactor.set_pdb(pdb.clone());`
	`44`	`+ interactor.remove_buried_residues();`
`43`	`45`
`44`	`46`	`// Assign the targets`
`45`	`47`	`for(chain_i, chain_j)in chains_in_contact.iter(){`

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