Based on your comments, I suspect these are files processed for powder diffraction patterns based on the COD crystal structures (CIF) (e.g., https://www.crystallography.net/cod/1515581.html)
Open Babel can convert the CIF files to other formats (e.g. PDB) but does not do powder diffraction analysis. As far as databases of powder diffraction, no. I think many programs produce COD-derived powder databases, e.g. https://www.crystallography.net/cod/new.html Best, -Geoff On Jan 8, 2023 at 10:16:35 PM, Наранбилэгт Нацагдорж < naranbileg...@mas.ac.mn> wrote: > I see, sad to hear that. I have downloaded those files from Crystal Impact > website also knows as Match! and tried to integrate into database but file > formats were different so I encountered a problem and heard this program > converts it. Do you have any suggestions regarding this matter? Also I am > currently using similar program to Match but I do not possess any kind of > database so do you have any solution for this issue? Thanks for replying. > ------------------------------ > *From:* Geoffrey Hutchison <geoff.hutchi...@gmail.com> > *Sent:* Monday, January 9, 2023 10:48 AM > *To:* Наранбилэгт Нацагдорж <naranbileg...@mas.ac.mn> > *Cc:* openbabel-disc...@lists.sf.net <openbabel-disc...@lists.sf.net> > *Subject:* Re: [Open Babel] Regarding converting MTI and many others > types of files to PDB > > I’m not sure what MTI, MTB, MQN, MQS, or MTU files are. I know the COD > well, and they operate on CIF files. > > I’m also not sure what you’re trying to accomplish. Do you want to turn > files into comparison for XRD diffraction patterns? That’s not something > that Open Babel does. > > Best, > -Geoff > > --- > Prof. Geoffrey Hutchison > Department of Chemistry > University of Pittsburgh > tel: (412) 648-0492 > email: geo...@pitt.edu > twitter: @ghutchis > web: https://hutchisonlab.org/ > > On Jan 8, 2023 at 9:07:34 PM, Наранбилэгт Нацагдорж < > naranbileg...@mas.ac.mn> wrote: > > Those are the examples and I have different types of files like MTI, MTB, > MQN, MQS, MTU and I could not convert it to PDB type file. Those are > Crystallography OpenDatabase files and I am trying to convert it to PDB so > I can add it to database of XRD qualitative analysis program. Thanks. > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > >
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