# PDB file elemental ion CA without specified charge

**URL:** https://ask.bioexcel.eu/t/pdb-file-elemental-ion-ca-without-specified-charge/3443
**Category:** HADDOCK
**Created:** [February 3, 2022, 3:19am UTC](https://ask.bioexcel.eu/t/pdb-file-elemental-ion-ca-without-specified-charge/3443 "2022-02-03T03:19:23Z")
**Posts on this page:** 1
**Showing post:** 2

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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: [February 3, 2022, 8:40am UTC](https://ask.bioexcel.eu/t/pdb-file-elemental-ion-ca-without-specified-charge/3443/2 "2022-02-03T08:40:57Z")

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Check:

```
https://www.bonvinlab.org/software/bpg/

```

and:

```
https://bianca.science.uu.nl/haddock2.4/library

```

PS: And the HADDOCK score is not equal to binding affinity…

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