Re: [ccp4bb] f2mtz error: problems reading reflection

2010-06-29 Thread Eleanor Dodson 

Can you attach the first 50 lines of your hkl file?
Eleanor

Yogesh Gupta wrote:

Dear Experts,

After a new installation on Mac OS 10.6, i am getting this error (related to
f2mtz) during the Find SITES step by SHELX in Autosharp.

Data line--- LABO H K L FA SIGFA ALPHA
 Number of columns to be read in:   6

 Data line--- CTYP H H H F  Q P
 Data line--- FORM '(3F4.0,2F8.2,F4.0)'

 $TEXT:Warning: $$ comment $$
 WARNING:  Format I replaced with F
 $$

FORMATTED  OLD file opened on unit   1

Logical name: HKLIN, Filename: SHELX/1_fa.hkl


 $TEXT:Warning: $$ comment $$
 WARNING:  PROJECTNAME not assigned
 $$

 $TEXT:Warning: $$ comment $$
 WARNING:  CRYSTALNAME not assigned
 $$


 $TEXT:Warning: $$ comment $$
 WARNING:  DATASETNAME not assigned
 $$
*** Read error
Check FORMAT -- especially the need for REALs
 f2mtz:  problems reading reflection   9

 f2mtz:  problems reading reflection   9


I am running ccp4-6.1.13. It looks like a FORTRAN error but do not know how
to fix this or which file to edit particularly. SHARP otherwise running fine
if i exclude SHELX step by feeding known sites.

Thanks for your help.

Yogesh

[ccp4bb] f2mtz error: problems reading reflection

2010-06-18 Thread Yogesh Gupta 
Dear Experts,

After a new installation on Mac OS 10.6, i am getting this error (related to
f2mtz) during the Find SITES step by SHELX in Autosharp.

Data line--- LABO H K L FA SIGFA ALPHA
 Number of columns to be read in:   6

 Data line--- CTYP H H H F  Q P
 Data line--- FORM '(3F4.0,2F8.2,F4.0)'

 $TEXT:Warning: $$ comment $$
 WARNING:  Format I replaced with F
 $$

FORMATTED  OLD file opened on unit   1

Logical name: HKLIN, Filename: SHELX/1_fa.hkl


 $TEXT:Warning: $$ comment $$
 WARNING:  PROJECTNAME not assigned
 $$

 $TEXT:Warning: $$ comment $$
 WARNING:  CRYSTALNAME not assigned
 $$


 $TEXT:Warning: $$ comment $$
 WARNING:  DATASETNAME not assigned
 $$
*** Read error
Check FORMAT -- especially the need for REALs
 f2mtz:  problems reading reflection   9

 f2mtz:  problems reading reflection   9


I am running ccp4-6.1.13. It looks like a FORTRAN error but do not know how
to fix this or which file to edit particularly. SHARP otherwise running fine
if i exclude SHELX step by feeding known sites.

Thanks for your help.

Yogesh

-- 
Yogesh K. Gupta, Ph.D.
Dept of Structural  Chemical Biology
Mount Sinai School of Medicine
Icahn Medical Institute
1425, Madison Av. (Rm 16-26)
New York, NY 10029
Tel:+1 212-659-8639
-