# Specifying specific residue pair interactions

**URL:** <https://ask.bioexcel.eu/t/specifying-specific-residue-pair-interactions/2505>\
**Category:** HADDOCK\
**Created:** [October 7, 2020, 4:10pm UTC](https://ask.bioexcel.eu/t/specifying-specific-residue-pair-interactions/2505 "2020-10-07T16:10:15Z")\
**Posts on this page:** 2\
**Page:** 1

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**Author:** ![austinv11](https://avatars.discourse-cdn.com/v4/letter/a/ec9cab/32.png) [@austinv11](https://ask.bioexcel.eu/u/austinv11)\
**Post date:** [October 7, 2020, 4:10pm UTC](https://ask.bioexcel.eu/t/specifying-specific-residue-pair-interactions/2505/1 "2020-10-07T16:10:16Z")

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Hello,

I wish to perform HADDOCK docking where I have data of specific residue pairs directly interacting. Is there a way to specify this? I assume it is via the unambiguous restraints parameter, but I can’t seem to find documentation on the TBL data format.

Thanks in advance!

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<div class="post-metadata">

**Author:** ![amjjbonvin](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/amjjbonvin/32/23_2.png) [@amjjbonvin](https://ask.bioexcel.eu/u/amjjbonvin)\
**Post date:** [October 7, 2020, 4:19pm UTC](https://ask.bioexcel.eu/t/specifying-specific-residue-pair-interactions/2505/2 "2020-10-07T16:19:25Z")

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The format for the restraints file follows CNS/Xplor syntax.

See for example:

> **[HADDOCK2.4 tutorial for the use of MS crosslink data to guide docking](https://www.bonvinlab.org/education/HADDOCK24/HADDOCK24-Xlinks/#scenarios-for-docking---how-to-make-use-of-ms-data-in-haddock)**
>
> A small tutorial on the use of MS crosslinks data in HADDOCK2.4.

And also Box 4 of our Nature Protocol paper:

[https://www.nature.com/articles/nprot.2010.32](https://www.nature.com/articles/nprot.2010.32)