import data collection temperature

[aebrer]

from OSL:

import data collection temperature when processing proteins
modify mmlib if needed.
History

#1 Updated by Dale Tronrud - over 5 years ago

Useful but not today
Target version changed from 1.0 to 1.1

#2 Updated by Dale Tronrud - about 3 years ago

The data collection temperature can be found on the line

REMARK 200  DATE OF DATA COLLECTION        : 23-JAN-07                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.8                                

It should always be in units of Kelvin. In many models it will not be listed, in which case the temperature should be flagged as unknown. I don't know how you do that for a numeric quantity. Temperatures cannot be negative on the Kelvin scale. Protein crystals cannot survive above the boiling point which is about 372 K.

#3 Updated by Jack Twilley over 2 years ago

Target version changed from 1.1 to 1.2