1
1
# This file contains a list of spacegroups, each in a
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2
# number of settings. Each setting is delimited by
3
# begin_spacegroup / end_spacegroup records. For each
4
# spacegroup setting, the following are listed:
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# number = standard spacegroup number
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# basisop = change of basis operator
7
# symbol ccp4 = CCP4 spacegroup number e.g. 1003
8
# (0 if not a CCP4 group)
9
# symbol Hall = Hall symbol
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# symbol xHM = extended Hermann Mauguin symbol
11
# symbol old = CCP4 spacegroup name
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# (blank if not a CCP4 group)
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# symbol laue = Laue group symbol
14
# symbol patt = Patterson group symbol
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# symbol pgrp = Point group symbol
16
# hklasu ccp4 = reciprocal space asymmetric unit
17
# (with respect to standard setting)
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# mapasu ccp4 = CCP4 real space asymmetric unit
19
# (with respect to standard setting)
20
# (negative ranges if not a CCP4 group)
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# mapasu zero = origin based real space asymmetric unit
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# (with respect to current setting)
23
# mapasu nonz = non-origin based real space asymmetric unit
24
# (with respect to current setting)
25
# cheshire = Cheshire cell
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# (with respect to standard setting)
27
# symop = list of primitive symmetry operators
28
# cenop = list of centering operators
3
# begin_spacegroup / end_spacegroup records. For each
4
# spacegroup setting, the following are listed:
5
# number = standard spacegroup number
6
# basisop = change of basis operator
7
# symbol ccp4 = CCP4 spacegroup number e.g. 1003
8
# (0 if not a CCP4 group)
9
# symbol Hall = Hall symbol
10
# symbol xHM = extended Hermann Mauguin symbol
11
# symbol old = CCP4 spacegroup name
12
# (blank if not a CCP4 group)
13
# symbol laue = Laue group symbol
14
# symbol patt = Patterson group symbol
15
# symbol pgrp = Point group symbol
16
# hklasu ccp4 = reciprocal space asymmetric unit
17
# (with respect to standard setting)
18
# mapasu ccp4 = CCP4 real space asymmetric unit
19
# (with respect to standard setting)
20
# (negative ranges if not a CCP4 group)
21
# mapasu zero = origin based real space asymmetric unit
22
# (with respect to current setting)
23
# mapasu nonz = non-origin based real space asymmetric unit
24
# (with respect to current setting)
25
# cheshire = Cheshire cell
26
# (with respect to standard setting)
27
# symop = list of primitive symmetry operators
28
# cenop = list of centering operators