add missing file (for 49a2e89a69) PYMOL-3153

2026-06-04 20:04:21 +08:00 · 2018-11-27 11:30:20 +01:00
parent 0cb8422d14
commit 25bf3bf234
1 changed files with 85 additions and 0 deletions
--- a/testing/data/userlabels2.mae
+++ b/testing/data/userlabels2.mae
@@ -0,0 +1,85 @@
+{ 
+ s_m_m2io_version
+ :::
+ 2.0.0 
+} 
+
+f_m_ct { 
+ s_m_title
+ s_m_entry_id
+ s_m_entry_name
+ s_m_Source_Path
+ s_m_Source_File
+ i_m_Source_File_Index
+ i_m_ct_format
+ :::
+ "Displayed atoms" 
+  1 
+  userlabels.1 
+  /d2/home/thomas/Downloads 
+  userlabels.mae 
+  1
+  2
+ m_atom[10] { 
+  # First column is atom index #
+  i_m_mmod_type
+  r_m_x_coord
+  r_m_y_coord
+  r_m_z_coord
+  i_m_residue_number
+  s_m_mmod_res
+  s_m_chain_name
+  i_m_color
+  s_m_pdb_residue_name
+  s_m_pdb_atom_name
+  i_m_atomic_number
+  s_m_color_rgb
+  s_m_atom_name
+  i_m_secondary_structure
+  s_m_label_format
+  i_m_label_color
+  s_m_label_user_text
+  r_m_pdb_occupancy
+  r_m_pdb_tfactor
+  i_pdb_PDB_serial
+  i_pdb_seqres_index
+  s_user_GPCR_generic_numbering
+  :::
+  1 26 -53.486000 2.259000 20.709000 32 W A 38 "TRP " " N  " 7 2E2EFF  "N22"  1 "%UA:s_user_GPCR_generic_numbering:%RT"  24 ""  1 95.21 22 39 <>
+  2 4 -52.267000 3.063000 20.735000 32 W A 24 "TRP " " CA " 6 808080  "C23"  1 "%UA:s_user_GPCR_generic_numbering:%RT"  24 "dummy"  1 94.6 23 39 1.31 
+  3 7 -51.837000 3.491000 19.319000 32 W A 24 "TRP " " C  " 6 808080  "C24"  1 "%UA:s_user_GPCR_generic_numbering:%RT"  24 ""  1 93.6 24 39 <>
+  4 15 -51.335000 4.603000 19.140000 32 W A 70 "TRP " " O  " 8 FF2E2E  "O25"  1 "%UA:s_user_GPCR_generic_numbering:%RT"  24 ""  1 91.48 25 39 <>
+  5 3 -51.129000 2.273000 21.427000 32 W A 24 "TRP " " CB " 6 808080  "C26"  1 "%UA:s_user_GPCR_generic_numbering:%RT"  24 ""  1 96.93 26 39 <>
+  6 43 -53.737356 1.997181 21.651534 32 W A 21 "TRP " " H1 " 1 FFFFFF  ""  -1 ""  1 ""  <> <> <> <> <>
+  7 43 -54.235802 2.796677 20.298147 32 W A 21 "TRP " " H2 " 1 FFFFFF  ""  -1 ""  1 ""  <> <> <> <> <>
+  8 41 -50.222962 2.878761 21.442780 32 W A 21 "TRP " " HB1" 1 FFFFFF  ""  -1 ""  1 ""  <> <> <> <> <>
+  9 41 -51.422341 2.032284 22.448815 32 W A 21 "TRP " " HB2" 1 FFFFFF  ""  -1 ""  1 ""  <> <> <> <> <>
+  10 41 -50.939538 1.351096 20.877184 32 W A 21 "TRP " " HB3" 1 FFFFFF  ""  -1 ""  1 ""  <> <> <> <> <>
+  :::
+ } 
+ m_bond[13] { 
+  # First column is bond index #
+  i_m_from
+  i_m_to
+  i_m_order
+  i_m_from_rep
+  i_m_to_rep
+  b_m_thin_bond
+  :::
+  1 1 2 1 2 2 0
+  2 1 6 1 2 2 <>
+  3 1 7 1 2 2 <>
+  4 2 1 1 2 2 0
+  5 2 3 1 2 2 0
+  6 2 5 1 2 2 0
+  7 3 2 1 2 2 0
+  8 3 4 2 2 2 0
+  9 4 3 2 2 2 0
+  10 5 2 1 2 2 0
+  11 5 8 1 2 2 <>
+  12 5 9 1 2 2 <>
+  13 5 10 1 2 2 <>
+  :::
+ } 
+} 
+