/usr/lib/python2.7/dist-packages/pymol/wizard/label.py is in pymol 1.8.4.0+dfsg-1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 | # This wizard contributed by Ezequiel "Zac" Panepucci 011114
# modified by Warren L. DeLano
# modified by Thomas Holder
from pymol.wizard import Wizard
from pymol.exporting import _resn_to_aa as one_letter
from pymol import cmd
class Label(Wizard):
atom=None
messages=1
mode = 0
mode_names = [
'{resn}-{resi}',
'{onelettercode}{resi}',
'{chain}/{resn}`{resi}',
'{chain}/{resn}`{resi}/{name}`{alt}',
'/{model}/{segi}/{chain}/{resn}`{resi}/{name}`{alt}',
'{chain}',
'{resn}',
'{resi}',
'{name}',
]
field_names = ('model', 'segi', 'chain', 'resn', 'resi', 'name', 'alt',
'b', 'x', 'y', 'z', 'label')
fields_str_tuple = '(' + ','.join(field_names) + ')'
def __init__(self,_self=cmd):
Wizard.__init__(self,_self)
self.cmd.unpick()
self.cmd.deselect()
self.cmd.set('mouse_selection_mode', 0)
self.menu = {
'mode': [
[2, 'Mode', ''],
] + [
[1, name, 'cmd.get_wizard().set_mode(%d)' % i]
for (i, name) in enumerate(self.mode_names)
]
}
def get_event_mask(self):
return Wizard.event_mask_pick + Wizard.event_mask_select
def set_mode(self, i):
self.mode = i
self.cmd.refresh_wizard()
def get_prompt(self):
self.prompt = []
if (not self.messages):
return None
if (self.atom == None):
self.prompt = ['Click atoms...']
else:
self.prompt = [
'/%s/%s/%s/%s`%s/%s`%s B = %.2f XYZ = %.3f %.3f %.3f' % self.atom[:-1]
]
return self.prompt
def toggle_messages(self):
self.messages = not self.messages
self.cmd.refresh_wizard()
def get_panel(self):
messages_str = 'On' if self.messages else 'Off'
return [
[ 1, 'Labeling',''],
[ 3, 'Mode: ' + self.mode_names[self.mode], 'mode' ],
[ 2, 'Messages: ' + messages_str, 'cmd.get_wizard().toggle_messages()'],
[ 2, 'Done','cmd.set_wizard()'],
]
def do_pick(self,bondFlag):
self.do_select('pk1')
self.cmd.unpick()
def do_select(self, sele):
self.atom = None
n = self.cmd.iterate_state(-1, 'first ?' + sele,
'self.atom = ' + self.fields_str_tuple,
space=locals())
if n == 0:
return
if self.atom[-1]:
label = ''
else:
d = dict(zip(self.field_names, self.atom))
d['onelettercode'] = one_letter.get(d['resn'], d['resn'])
label = repr(self.mode_names[self.mode].format(**d))
self.cmd.label('first ?' + sele, label)
self.cmd.deselect()
self.cmd.refresh_wizard()
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