# GLYCANS working?

**URL:** <https://ask.bioexcel.eu/t/glycans-working/3781>\
**Category:** HADDOCK\
**Created:** [June 23, 2022, 3:08pm UTC](https://ask.bioexcel.eu/t/glycans-working/3781 "2022-06-23T15:08:25Z")\
**Posts on this page:** 8\
**Page:** 1

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**Author:** ![Andrea\_Spitaleri](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/andrea_spitaleri/32/37_2.png) [@Andrea\_Spitaleri](https://ask.bioexcel.eu/u/Andrea_Spitaleri)\
**Post date:** [June 23, 2022, 3:08pm UTC](https://ask.bioexcel.eu/t/glycans-working/3781/1 "2022-06-23T15:08:26Z")

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The HADDOCK category is meant to discuss any HADDOCK-related issue. For general information about HADDOCK refer to [http://www.bonvinlab.org/software/haddock2.4](http://www.bonvinlab.org/software/haddock2.4)  
Hi all,  
is the server to generate PDB [http://haddock.science.uu.nl/enmr/services/GLYCANS/](http://haddock.science.uu.nl/enmr/services/GLYCANS/) up and working? If not, could one those produce proper topology for HADDOCK:  
[http://legacy.glycam.org/tools/molecular-dynamics/oligosaccharide-builder/download-files](http://legacy.glycam.org/tools/molecular-dynamics/oligosaccharide-builder/download-files)  
or  
[https://glycam.org/gag/](https://glycam.org/gag/)

Best

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**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:** [June 23, 2022, 3:29pm UTC](https://ask.bioexcel.eu/t/glycans-working/3781/2 "2022-06-23T15:29:58Z")

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That’s a rather old server - no longer operational (but we do still have it somewhere).

Note that HADDOCK can handle glycans in principle. The ones supported can be found at:

[https://wenmr.science.uu.nl/haddock2.4/library](https://wenmr.science.uu.nl/haddock2.4/library)

###### _Supported carbohydrates_- A2G: 2-N-acetyl-alpha-D-glucopyranose, different stereochemistry at C4

- BGC: beta-D-glucopyranose

- BMA: beta-D-mannopyronose

- FCA: alpha-D-fucopyranose

- FCB: beta-D-fucopyranose

- FUC: alpha-L-fucopyranose

- FUL: beta-L-fucopyranose

- GAL (GLB): beta-D-galactopyranose

- GLA: alpha-D-galactopyranose

- GLC: alpha-D-glucopyranose

- MAN: alpha-D-mannopyranose

- NAG: 2-N-acetyl-beta-D-glucopyranose

- NDG: 2-N-acetyl-alpha-D-glucopyranose

- NGA: 2-N-acetyl-beta-D-galactopyranose

- SIA: alpha-N-acetyl neuraminic acid

- SIB: beta-N-acetyl neuraminic acid

- XYP: beta-D-xylopyranose

We also have quite a number of linkages supported, but not all..

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<div class="post-metadata">

**Author:** ![Andrea\_Spitaleri](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/andrea_spitaleri/32/37_2.png) [@Andrea\_Spitaleri](https://ask.bioexcel.eu/u/Andrea_Spitaleri)\
**Post date:** [June 23, 2022, 3:33pm UTC](https://ask.bioexcel.eu/t/glycans-working/3781/3 "2022-06-23T15:33:58Z")

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Hi Alexandre  
so as long as I am consistent with the nomenclature, the force field from one of the two servers are fine for HADDOCK, right?  
Merci

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**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:** [June 23, 2022, 3:50pm UTC](https://ask.bioexcel.eu/t/glycans-working/3781/4 "2022-06-23T15:50:23Z")

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Yes for the 2.4 server

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<div class="post-metadata">

**Author:** ![Andrea\_Spitaleri](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/andrea_spitaleri/32/37_2.png) [@Andrea\_Spitaleri](https://ask.bioexcel.eu/u/Andrea_Spitaleri)\
**Post date:** [June 23, 2022, 4:03pm UTC](https://ask.bioexcel.eu/t/glycans-working/3781/5 "2022-06-23T16:03:23Z")

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local version too?

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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:** [July 6, 2022, 4:17pm UTC](https://ask.bioexcel.eu/t/glycans-working/3781/6 "2022-07-06T16:17:22Z")

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Yes of course 🙂

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**Author:** ![guvako](https://avatars.discourse-cdn.com/v4/letter/g/3da27b/32.png) [@guvako](https://ask.bioexcel.eu/u/guvako)\
**Post date:** [September 9, 2022, 6:37am UTC](https://ask.bioexcel.eu/t/glycans-working/3781/7 "2022-09-09T06:37:33Z")

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Hi,  
Is it possible to request addition of non-supported monosaccharides for the glycan database? And/or is it possible to perform docking of glycans that are not in the database?

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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:** [September 9, 2022, 10:12am UTC](https://ask.bioexcel.eu/t/glycans-working/3781/8 "2022-09-09T10:12:21Z")

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You can always request it - if it gets implemented will depend on the complexity and the time available to do it.

And to dock non-supported ones, you will have to define them as HETATM, but the glycan should then be a single residue with no overlap in atom naming.
