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minor change to XChemDeposit.py
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Tobias Krojer committed Mar 14, 2019
1 parent 21b38ac commit f153e7b
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Showing 2 changed files with 7 additions and 4 deletions.
1 change: 1 addition & 0 deletions lib/XChemDeposit.py
Original file line number Diff line number Diff line change
Expand Up @@ -650,6 +650,7 @@ def save_data_template_dict(self,xtal):
self.Logfile.insert('%s: preparing data_template.cif file' %xtal)
if self.overwrite_existing_mmcif:
self.data_template_dict['radiation_wavelengths'] = self.mtz.get_wavelength()
self.Logfile.insert('%s: experimental wavelength according to %s is %s' %(xtal,self.mtz,self.data_template_dict['radiation_wavelengths']))
if self.ground_state:
os.chdir(self.projectDir)
# self.data_template_dict['radiation_wavelengths'] = '1.000'
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10 changes: 6 additions & 4 deletions lib/XChemToolTips.py
Original file line number Diff line number Diff line change
Expand Up @@ -314,7 +314,8 @@ def deposition_ground_state_prerequisites():

def deposition_ground_state_preparation_step_one_text():
msg = (
'1. Select ground-state PDB file.'
'1. Select ground-state PDB file.\n'
' Note: the file is usually in the reference directory.'
)
return msg

Expand All @@ -328,7 +329,8 @@ def deposition_ground_state_log_info():

def deposition_ground_state_preparation_step_two_text():
msg = (
'2. Select ground-state MTZ file.'
'2. Select ground-state MTZ file.\n'
' Note: the file is usually in the reference directory.'
)
return msg

Expand All @@ -350,13 +352,13 @@ def deposition_ground_state_preparation_step_five_text():
' - Open "Deposition -> Edit information"\n'
' - Fill out form or load .deposit file\n'
' - Press "Save to Database"\n'
' - Press "OK"\n'
' - Press "OK"'
)
return msg

def deposition_ground_state_preparation_step_six_text():
msg = (
'6. Prepare the ground-state mmcif file.'
'6. Prepare the ground-state mmcif file.\n'
' Note: the mmcif files are saved into the selected pandda directory'
)
return msg
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