On 13/06/2020 17:50, Hari shankar wrote:
I want to build a ligand that does not exist in reality (or be able to
modify an existing ligand as per choice).
1. JLigand in the ccp4 suite seems to work only on java and gives me
an “configuration problem” as an error message on my Windows. I am new
to this and unaware of how to solve this issue. Could I get some
suggestions on how to start this?
In CCP4i2: Task menu -> Ligands -> Make Ligand -> New Job -> Run ->
{sketch} -> Close the window
In Coot: Calculate -> Ligand Builder -> {sketch} -> Apply
You can use File -> Fetch Molecule... or File -> Import Molecule... to
either fetch (from the aether) or import (from a mmcif file in the
monomer library) a previously described molecule.
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