Frank,
Maps are viewed for eg charge density studies, orientation of methyl groups ( when need checking ), but omit maps and maps generally in chemX are examined usually as peak lists.
Nb the diffraction resolution is much more homogeneous than MX and atomic resolution or better basically all the time in chem X. Nb I am also a maps person but getting better at the various above, my tutor being Dr Madeleine Helliwell.
John
Prof John R Helliwell DSc FInstP CPhys FRSC CChem F Soc Biol.
Chair School of Chemistry, University of Manchester, Athena Swan Team.
http://www.chemistry.manchester.ac.uk/aboutus/athena/index.html
On 9 May 2012, at 10:00, Frank von Delft <[log in to unmask]> wrote:
> Could you elaborate on-list? Is that what small mol people do - not look at density, but only at esds?
>
> I have to tell someone which one of two compounds is the correct one, question being whether a Cl group is switched with a methoxy. Being a protein man I was going to look at the maps - but the programs won't show them.
>
> Okay, Platon it is. Thanks!
>
> phx
>
>
>
> On 09/05/2012 09:22, John R Helliwell wrote:
>> Dear Frank,
>> PLATON.
>> [Or make the transition to bond distances and angles with esds,
>> instead of maps.]
>> Greetings,
>> John
>>
>> On Wed, May 9, 2012 at 6:10 AM, Frank von Delft
>> <[log in to unmask]> wrote:
>>> Hi daft question: I was sent cif and fcf files for a small molecule crystal
>>> structure - solved with Bruker software, I think.
>>>
>>> Anybody know how to display this as electron density maps? I tried coot and
>>> mg, they barfed though - not sure whether that's a file problem though.
>>>
>>> Thanks for help!
>>> phx
>>
>>
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