def pickAtoms(ignoreDensity=False):
"""Prompt the user to pick two atoms to rotamerize a stretch of nucleotides. Alternatively, if
we're already waiting for the user to pick atoms, then cancel the pending picks.
ARGUMENTS:
None
OPTIONAL ARGUMENTS:
ignoreDensity - ignore the density when performing the minimization
defaults to False
RETURNS:
None
"""
#create the citation pop-up if necessary
createCitationPopup()
global waitingForClicks
#make sure that we're not waiting on a pending extendChain call
extendChain.clearPendingExtendChain()
if waitingForClicks:
#if we're already in the middle of a rotamerize call, then cancel the pending rotamerize
print "Rotamerize cancelled"
add_status_bar_text("Rotamerize cancelled")
clear_pending_picks(
) #tell Coot to stop waiting for the user to click on atoms
__setMenuToRotamerize()
waitingForClicks = False
else:
#if we're not in the middle of a rotamerize call, then start one
#make sure that there is a refinement map set
if not ignoreDensity and imol_refinement_map() == -1:
print "No refinement map set for RCrane rotamerize"
selectMapDialog(pickAtoms)
return
print "Click on 2 atoms (in the same molecule)"
add_status_bar_text(
"Pick 2 atoms [Ctrl Left-mouse rotates the view]...")
__setMenuToCancel()
waitingForClicks = True
user_defined_click(
2, lambda atomSpec1, atomSpec2: rotamerizeFromAtomSpecs(
atomSpec1, atomSpec2, ignoreDensity))
def pickAtoms(ignoreDensity = False):
"""Prompt the user to pick two atoms to rotamerize a stretch of nucleotides. Alternatively, if
we're already waiting for the user to pick atoms, then cancel the pending picks.
ARGUMENTS:
None
OPTIONAL ARGUMENTS:
ignoreDensity - ignore the density when performing the minimization
defaults to False
RETURNS:
None
"""
#create the citation pop-up if necessary
createCitationPopup()
global waitingForClicks
#make sure that we're not waiting on a pending extendChain call
extendChain.clearPendingExtendChain()
if waitingForClicks:
#if we're already in the middle of a rotamerize call, then cancel the pending rotamerize
print "Rotamerize cancelled"
add_status_bar_text("Rotamerize cancelled")
clear_pending_picks() #tell Coot to stop waiting for the user to click on atoms
__setMenuToRotamerize()
waitingForClicks = False
else:
#if we're not in the middle of a rotamerize call, then start one
#make sure that there is a refinement map set
if not ignoreDensity and imol_refinement_map() == -1:
print "No refinement map set for RCrane rotamerize"
selectMapDialog(pickAtoms)
return
print "Click on 2 atoms (in the same molecule)"
add_status_bar_text("Pick 2 atoms [Ctrl Left-mouse rotates the view]...")
__setMenuToCancel()
waitingForClicks = True
user_defined_click(2, lambda atomSpec1, atomSpec2: rotamerizeFromAtomSpecs(atomSpec1, atomSpec2, ignoreDensity))
def pickAtoms():
"""Prompt the user to pick an atoms to extend a stretch of nucleotides. Alternatively, if
we're already waiting for the user to pick an atom, then cancel the pending pick.
ARGUMENTS:
None
RETURNS:
None
"""
#create the citation pop-up if necessary
createCitationPopup()
#make sure that we're not waiting on a pending rotamerize call
rotamerize.clearPendingRotamerize()
global waitingForClicks
if waitingForClicks:
#if we're already in the middle of an extend chain call, then cancel the pending call
print "Rotamerize cancelled"
add_status_bar_text("Extend chain cancelled")
clear_pending_picks(
) #tell Coot to stop waiting for the user to click on atoms
__setMenuToExtendChain()
waitingForClicks = False
else:
#if we're not in the middle of a extend chain call, then start one
#make sure that there is a refinement map set
if imol_refinement_map() == -1:
print "No refinement map set for RCrane extend chain"
selectMapDialog(pickAtoms)
return
print "Click on a nucleotide to extend"
add_status_bar_text(
"Pick a nucleotide [Ctrl Left-mouse rotates the view]...")
__setMenuToCancel()
waitingForClicks = True
user_defined_click(1, extendChainFromAtomSpec)
def pickAtoms():
"""Prompt the user to pick an atoms to extend a stretch of nucleotides. Alternatively, if
we're already waiting for the user to pick an atom, then cancel the pending pick.
ARGUMENTS:
None
RETURNS:
None
"""
#create the citation pop-up if necessary
createCitationPopup()
#make sure that we're not waiting on a pending rotamerize call
rotamerize.clearPendingRotamerize()
global waitingForClicks
if waitingForClicks:
#if we're already in the middle of an extend chain call, then cancel the pending call
print "Rotamerize cancelled"
add_status_bar_text("Extend chain cancelled")
clear_pending_picks() #tell Coot to stop waiting for the user to click on atoms
__setMenuToExtendChain()
waitingForClicks = False
else:
#if we're not in the middle of a extend chain call, then start one
#make sure that there is a refinement map set
if imol_refinement_map() == -1:
print "No refinement map set for RCrane extend chain"
selectMapDialog(pickAtoms)
return
print "Click on a nucleotide to extend"
add_status_bar_text("Pick a nucleotide [Ctrl Left-mouse rotates the view]...")
__setMenuToCancel()
waitingForClicks = True
user_defined_click(1, extendChainFromAtomSpec)