This is great work!
Here's my ancient attempt to systematize comparisons of ions in complex:
https://pubs.acs.org/doi/abs/10.1021/ja00093a003
Bill
On 10/16/20 10:10 PM, Elvis Martis wrote:
> HI
> you would want to look at ZAFF tutorials to get this right
> https://ambermd.org/tutorials/advanced/tutorial20/ZAFF.htm
> Best Regards
> Elvis
>
>
>
> On Sat, 17 Oct 2020 at 10:26, Jenny 148 <jenny.rs140.gmail.com> wrote:
>
>> Hi,
>> I have a pdb structure, where in I have added a few zinc ions. These zinc
>> ions are supposed to be coordinated with a few of the Amino acids. Since I
>> added the ions by simple superimposition, the coordinate bond is not well
>> defined and the ions are far from the expected position. Is there some way
>> to change the position of these ions in xleap and create the coordinate
>> bond required in this system? Thank you in advance.
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>>
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Received on Sat Oct 17 2020 - 06:00:02 PDT
