> Perhaps Warren can post to the mailing list the clear text table of space group names that are acceptable.
PyMOL still uses Ralf Gross-Kunstleve's old sglite toolkit for decoding spacegroups. Thus, there is no static list of acceptable forms. However, included below are the most of the strings from sgsymbols.c. It is probably safe to assume that these strings will be recognized literally, but sglite can handle some other common forms (e.g. "P212121" for "P 21 21 21"). Cheers, Warren P 1 P -1 P 1 2 1 P 1 1 2 P 2 1 1 P 1 21 1 P 1 1 21 P 21 1 1 C 1 2 1 A 1 2 1 I 1 2 1 A 1 1 2 B 1 1 2 I 1 1 2 B 2 1 1 C 2 1 1 I 2 1 1 P 1 m 1 P 1 1 m P m 1 1 P 1 c 1 P 1 n 1 P 1 a 1 P 1 1 a P 1 1 n P 1 1 b P b 1 1 P n 1 1 P c 1 1 C 1 m 1 A 1 m 1 I 1 m 1 A 1 1 m B 1 1 m I 1 1 m B m 1 1 C m 1 1 I m 1 1 C 1 c 1 A 1 n 1 I 1 a 1 A 1 a 1 C 1 n 1 I 1 c 1 A 1 1 a B 1 1 n I 1 1 b B 1 1 b A 1 1 n I 1 1 a B b 1 1 C n 1 1 I c 1 1 C c 1 1 B n 1 1 I b 1 1 P 1 2/m 1 P 1 1 2/m P 2/m 1 1 P 1 21/m 1 P 1 1 21/m P 21/m 1 1 C 1 2/m 1 A 1 2/m 1 I 1 2/m 1 A 1 1 2/m B 1 1 2/m I 1 1 2/m B 2/m 1 1 C 2/m 1 1 I 2/m 1 1 P 1 2/c 1 P 1 2/n 1 P 1 2/a 1 P 1 1 2/a P 1 1 2/n P 1 1 2/b P 2/b 1 1 P 2/n 1 1 P 2/c 1 1 P 1 21/c 1 P 1 21/n 1 P 1 21/a 1 P 1 1 21/a P 1 1 21/n P 1 1 21/b P 21/b 1 1 P 21/n 1 1 P 21/c 1 1 C 1 2/c 1 A 1 2/n 1 I 1 2/a 1 A 1 2/a 1 C 1 2/n 1 I 1 2/c 1 A 1 1 2/a B 1 1 2/n I 1 1 2/b B 1 1 2/b A 1 1 2/n I 1 1 2/a B 2/b 1 1 C 2/n 1 1 I 2/c 1 1 C 2/c 1 1 B 2/n 1 1 I 2/b 1 1 P 2 2 2 P 2 2 21 P 21 2 2 P 2 21 2 P 21 21 2 P 2 21 21 P 21 2 21 P 21 21 21 C 2 2 21 A 21 2 2 B 2 21 2 C 2 2 2 A 2 2 2 B 2 2 2 F 2 2 2 I 2 2 2 I 21 21 21 P m m 2 P 2 m m P m 2 m P m c 21 P c m 21 P 21 m a P 21 a m P b 21 m P m 21 b P c c 2 P 2 a a P b 2 b P m a 2 P b m 2 P 2 m b P 2 c m P c 2 m P m 2 a P c a 21 P b c 21 P 21 a b P 21 c a P c 21 b P b 21 a P n c 2 P c n 2 P 2 n a P 2 a n P b 2 n P n 2 b P m n 21 P n m 21 P 21 m n P 21 n m P n 21 m P m 21 n P b a 2 P 2 c b P c 2 a P n a 21 P b n 21 P 21 n b P 21 c n P c 21 n P n 21 a P n n 2 P 2 n n P n 2 n C m m 2 A 2 m m B m 2 m C m c 21 C c m 21 A 21 m a A 21 a m B b 21 m B m 21 b C c c 2 A 2 a a B b 2 b A m m 2 B m m 2 B 2 m m C 2 m m C m 2 m A m 2 m A b m 2 B m a 2 B 2 c m C 2 m b C m 2 a A c 2 m A m a 2 B b m 2 B 2 m b C 2 c m C c 2 m A m 2 a A b a 2 B b a 2 B 2 c b C 2 c b C c 2 a A c 2 a F m m 2 F 2 m m F m 2 m F d d 2 F 2 d d F d 2 d I m m 2 I 2 m m I m 2 m I b a 2 I 2 c b I c 2 a I m a 2 I b m 2 I 2 m b I 2 c m I c 2 m I m 2 a P m m m P n n n P c c m P m a a P b m b P b a n P n c b P c n a P m m a P m m b P b m m P c m m P m c m P m a m P n n a P n n b P b n n P c n n P n c n P n a n P m n a P n m b P b m n P c n m P n c m P m a n P c c a P c c b P b a a P c a a P b c b P b a b P b a m P m c b P c m a P c c n P n a a P b n b P b c m P c a m P m c a P m a b P b m a P c m b P n n m P m n n P n m n P m m n P n m m P m n m P b c n P c a n P n c a P n a b P b n a P c n b P b c a P c a b P n m a P m n b P b n m P c m n P m c n P n a m C m c m C c m m A m m a A m a m B b m m B m m b C m c a C c m b A b m a A c a m B b c m B m a b C m m m A m m m B m m m C c c m A m a a B b m b C m m a C m m b A b m m A c m m B m c m B m a m C c c a C c c b A b a a A c a a B b c b B b a b F m m m F d d d I m m m I b a m I m c b I c m a I b c a I c a b I m m a I m m b I b m m I c m m I m c m I m a m P 4 P 41 P 42 P 43 I 4 I 41 P -4 I -4 P 4/m P 42/m P 4/n P 42/n I 4/m I 41/a P 4 2 2 P 4 21 2 P 41 2 2 P 41 21 2 P 42 2 2 P 42 21 2 P 43 2 2 P 43 21 2 I 4 2 2 I 41 2 2 P 4 m m P 4 b m P 42 c m P 42 n m P 4 c c P 4 n c P 42 m c P 42 b c I 4 m m I 4 c m I 41 m d I 41 c d P -4 2 m P -4 2 c P -4 21 m P -4 21 c P -4 m 2 P -4 c 2 P -4 b 2 P -4 n 2 I -4 m 2 I -4 c 2 I -4 2 m I -4 2 d P 4/m m m P 4/m c c P 4/n b m P 4/n n c P 4/m b m P 4/m n c P 4/n m m P 4/n c c P 42/m m c P 42/m c m P 42/n b c P 42/n n m P 42/m b c P 42/m n m P 42/n m c P 42/n c m I 4/m m m I 4/m c m I 41/a m d I 41/a c d P 3 P 31 P 32 R 3 P -3 R -3 P 3 1 2 P 3 2 1 P 31 1 2 P 31 2 1 P 32 1 2 P 32 2 1 R 3 2 P 3 m 1 P 3 1 m P 3 c 1 P 3 1 c R 3 m R 3 c P -3 1 m P -3 1 c P -3 m 1 P -3 c 1 R -3 m R -3 c P 6 P 61 P 65 P 62 P 64 P 63 P -6 P 6/m P 63/m P 6 2 2 P 61 2 2 P 65 2 2 P 62 2 2 P 64 2 2 P 63 2 2 P 6 m m P 6 c c P 63 c m P 63 m c P -6 m 2 P -6 c 2 P -6 2 m P -6 2 c P 6/m m m P 6/m c c P 63/m c m P 63/m m c P 2 3 F 2 3 I 2 3 P 21 3 I 21 3 P m -3 P n -3 F m -3 F d -3 I m -3 P a -3 I a -3 P 4 3 2 P 42 3 2 F 4 3 2 F 41 3 2 I 4 3 2 P 43 3 2 P 41 3 2 I 41 3 2 P -4 3 m F -4 3 m I -4 3 m P -4 3 n F -4 3 c I -4 3 d P m -3 m P n -3 n P m -3 n P n -3 m F m -3 m F m -3 c F d -3 m F d -3 c I m -3 m I a -3 d P121 P1211 C121 P1m1 P1c1 C1m1 C1c1 P12/m1 P121/m1 C12/m1 P12/c1 P121/c1 C12/c1 P2 P21 B2 C2 Pm Pb Pc Bm Cm Bb Cc P2/m P21/m B2/m C2/m P2/b P2/c P21/b P21/c B2/b C2/c P2 P21 C2 Pm Pc Cm Cc P2/m P21/m C2/m P2/c P21/c C2/c -----Original Message----- From: pymol-users-boun...@lists.sourceforge.net [mailto:pymol-users-boun...@lists.sourceforge.net] On Behalf Of Thomas Stout Sent: Tuesday, December 19, 2006 1:28 PM To: Qi Wang Cc: pymol-users@lists.sourceforge.net Subject: Re: [PyMOL] symmetry generation P21/n? I have discovered that PyMOL is somewhat picky about the format of the name of the space group. The only way I have found to uncover which specific form(s) of the space group name PyMOL is looking for is to search within the binary (not a good solution). For example, P-1 will fail while "P -1" is acceptable. Also, P212121 versus P 21 21 21 may or may not fail. There are - in general - more options for the more (biologically) common space groups. Perhaps Warren can post to the mailing list the clear text table of space group names that are acceptable. In the meantime, you might try variations on "P 21/n" such as "P21/n", "P 21 n", "P 1 21/n 1", et cetera.... -Tom -----Original Message----- From: pymol-users-boun...@lists.sourceforge.net [mailto:pymol-users-boun...@lists.sourceforge.net] On Behalf Of Qi Wang Sent: Tuesday, December 19, 2006 1:01 PM To: pymol-users@lists.sourceforge.net Subject: [PyMOL] symmetry generation P21/n? Hi looks to me Pymol doesn't recogize the space group symbol P 21/n. Is it a bug or this group symbol is obsolete? Thanks. ------------------------------------------------------------------------ - Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys - and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDE V _______________________________________________ PyMOL-users mailing list PyMOL-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/pymol-users This email (including any attachments) may contain material that is confidential and privileged and is for the sole use of the intended recipient. Any review, reliance or distribution by others or forwarding without express permission is strictly prohibited. If you are not the intended recipient, please contact the sender and delete all copies. 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