; not
defined in dictionary!
cif2mtz: Error in ccp4ccif_setup_context: Unexpected context type for
category REFLN
Times: User: 0.6s System:0.0s Elapsed: 0:00
Björn Kauppi
> -Original Message-
> From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf
> category REFLN
> Times: User: 0.6s System: 0.0s Elapsed: 0:00
>
>
>
>
>
> Bj?rn Kauppi
>
> > -Original Message-
> > From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of
> > Martyn Winn
> > Sent: den 1 nov
defined in dictionary!
cif2mtz: Error in ccp4ccif_setup_context: Unexpected context type for
category REFLN
Times: User: 0.6s System:0.0s Elapsed: 0:00
Björn Kauppi
> -Original Message-
> From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of
> Martyn
The crystallographic model-building and display program MIFit can read mmCIF
diffraction data directly and compute the map internally i.e. you don't need
any other software. There is a tutorial (lesson 16) on this exact
application.
MIFit runs on Windows and Linux and is free to academics users. T
Use the CCP4i Reflection utilities
Convert to MTZ and say you are importing mmCIF
It will sort it out for you
Eleanor
Zheng Zhou wrote:
Hi,
Could anyone give a quick hint for the Fortran format for the following
structure factor mmCIF file? or Is there any easy program or better way to
conver
The first 3 cif columns are not the problem. cif2mtz will happily skip
these along with any other items it doesn't explicitly deal with.
The problem is simply the extra columns F(+) etc, yes?
This bug has been seen on Windows. The same job should work fine on
Linux or Macs. Or you should be able
Someone knowing fortan showed me that in many cases you can simply omit
the FORMAT keyword in f2mtz, provided the columns never use up the full
column width (i.e., in your case: there is no reflection with amplitude >
999.99).
Simply use SKIP, LABOUT and CTYPOUT to read in your data (and t
If you want to "roll your own"...
If you add the data_xxx line to make this a legal CIF, you should
be able to read it with ciftbx if you are working in a Fortran application
or CBFlib if you are working in a C application. You will find
a variety of CIF tools pointed to from the IUCr web site
Hi,
Could anyone give a quick hint for the Fortran format for the following
structure factor mmCIF file? or Is there any easy program or better way to
convert it? I think I need to skip first 3 columns.
Thanks in advance.
Joe
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
