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Output file in CIF format = MOFs + guests
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Topic: Output file in CIF format = MOFs + guests (Read 1377 times)
mikhail
Newbie
Posts: 1
Output file in CIF format = MOFs + guests
«
on:
February 21, 2021, 09:53:46 AM »
Dear All,
Hope you are doing great.
This is the update of my question. Let me rephrase it:
I would like to ask you how can I get an output file in cif format, combining MOFs + guests in one file?
Kind Regards,
Mikhail
«
Last Edit: February 26, 2021, 01:44:11 PM by mikhail
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David Dubbeldam
Full Member
Posts: 230
Re: Output file in CIF format = MOFs + guests
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Reply #1 on:
March 06, 2021, 06:27:09 PM »
What is the start point, do you already have the two cif files? You could then just add the content of the atoms to the other (if they have the same unit cell information).
if you have for example pdb's then use a converting program like openbabel.
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Output file in CIF format = MOFs + guests