3 May
2022
3 May
'22
3:12 p.m.
Hi all,
Is there any way to use mmCIF files with the TopologyReader in IMP.pmi? We are dealing with big files that cannot be held in PDB.
Thanks a lot!
Altair
3 May
3 May
4:07 p.m.
On 5/3/22 3:12 PM, Altair Hernández wrote: > Is there any way to use mmCIF files with the TopologyReader in IMP.pmi? > We are dealing with big files that cannot be held in PDB.
Sure, the pdb_fn field in a topology file can be a PDB or an mmCIF file; see https://integrativemodeling.org/2.16.0/doc/ref/classIMP_1_1pmi_1_1topology_1...
Ben
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"It is a capital mistake to theorize before one has data."
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Ben Webb