Hi Elaine and Eric,

I hope all is well. I am writing because I am using the chimerax command 'label sel residues height 1' but I noticed that the insertion codes are not making it into the labels. I attached an example cxc session along with the commands provided. In, for example, model #4, there are two residues labeled '100' even though when I hover over the residues, they have insertion codes. Do you know if there is a way I can label the residues with the position numbers including the insertion codes?
(I copied below the entire script I ran. Please let me know if there is any additional information I can provide.)

Thanks,
Ellen





# Directory: E_antigen_Y_33_heavy_len54
# Subdirectory: Y_33_heavy_and_Y_52_heavy_len9
# Directory: R_antigen_D_50_light_len73
# Subdirectory: D_50_light_and_W_32_light_and_Y_91_light_len9
open /home/eshrock/Projects/eshrock_scratch_2024_02_28/antibody/2024_01_25_removing_Abs_similar_to_RBD_and_retraining_RF2_and_RFab/2024_02_29_pred_CoVAbDab_with_DMS_hotspots_using_retrained_models/predictions_for_all_Abs_with_and_without_DMS_hotspots/RFab_pred_using_corrected_models_actually_no_CoV_Ab_ag/model1/with_hotspots/renumbered_anarci/2087_BD56-1843_pdb6w41_C_T_coordinates.json_best_anarci_chothia_T_renumbered_HLT.pdb
open /home/eshrock/Projects/eshrock_scratch_2024_02_28/antibody/2024_01_25_removing_Abs_similar_to_RBD_and_retraining_RF2_and_RFab/2024_02_29_pred_CoVAbDab_with_DMS_hotspots_using_retrained_models/predictions_for_all_Abs_with_and_without_DMS_hotspots/RFab_pred_using_corrected_models_actually_no_CoV_Ab_ag/model1/with_hotspots/renumbered_anarci/2104_BD56-1862_pdb6m17_E_T_coordinates.json_best_anarci_chothia_T_renumbered_HLT.pdb
open /home/eshrock/Projects/eshrock_scratch_2024_02_28/antibody/2023_12_22_analysis_for_CoVAbDab_GRAB_paper/AF3_predictions_CoV2/unzipped_AF3_pred_from_Max/WTRBD/fold_bd56_534_wtrbd_unzipped/fold_bd56_534_wtrbd_model_0_anarci_chothia_T_renumbered_HLT.pdb
open /home/eshrock/Projects/eshrock_scratch_2024_02_28/antibody/2023_12_22_analysis_for_CoVAbDab_GRAB_paper/AF3_predictions_CoV2/unzipped_AF3_pred_from_Max/WTRBD/fold_bd_824_wtrbd_unzipped/fold_bd_824_wtrbd_model_2_anarci_chothia_T_renumbered_HLT.pdb
open /home/eshrock/Projects/eshrock_scratch_2024_02_28/antibody/2023_12_22_analysis_for_CoVAbDab_GRAB_paper/AF3_predictions_CoV2/unzipped_AF3_pred_from_Max/WTRBD/fold_bd56_1908_wtrbd_unzipped/fold_bd56_1908_wtrbd_model_1_anarci_chothia_T_renumbered_HLT.pdb
matchmaker #1/T to #5/C pairing ss
matchmaker #2/T to #5/C pairing ss
matchmaker #3/C to #5/C pairing ss
matchmaker #4/C to #5/C pairing ss
set bgColor white
hbonds #1/T:346 color #000000 restrict #1/H #1/L
hbonds #2/T:346 color #000000 restrict #2/H #2/L
hbonds #3/C:346 color #000000 restrict #3/A #3/B
hbonds #4/C:346 color #000000 restrict #4/A #4/B
hbonds #5/C:346 color #000000 restrict #5/A #5/B
select #1/H #2/H #3/A #4/A #5/A
color sel #ffff001f
select #1/L #2/L #3/B #4/B #5/B
color sel #00ffff1f
select #1/T #2/T #3/C #4/C #5/C
color sel #ff00ff1f
select #1/T:346 #2/T:346 #3/C:346 #4/C:346 #5/C:346
label sel residues height 1
color sel #ff00ffff
show sel atoms
select #1/L:50
color sel #00ffffff
show sel atoms
label sel residues height 1
select #1/H:100C
color sel #ffff00ff
show sel atoms
label sel residues height 1
select #1/H:100D
color sel #ffff00ff
show sel atoms
label sel residues height 1
select #1/H:100E
color sel #ffff00ff
show sel atoms
label sel residues height 1
select #1/L:32
color sel #00ffffff
show sel atoms
label sel residues height 1
select #1/L:91
color sel #00ffffff
show sel atoms
label sel residues height 1
select #2/L:50
color sel #00ffffff
show sel atoms
label sel residues height 1
select #2/H:100A
color sel #ffff00ff
show sel atoms
label sel residues height 1
select #2/L:32
color sel #00ffffff
show sel atoms
label sel residues height 1
select #2/L:91
color sel #00ffffff
show sel atoms
label sel residues height 1
select #3/A:100B
color sel #ffff00ff
show sel atoms
label sel residues height 1
select #3/B:50
color sel #00ffffff
show sel atoms
label sel residues height 1
select #3/B:32
color sel #00ffffff
show sel atoms
label sel residues height 1
select #3/A:100C
color sel #ffff00ff
show sel atoms
label sel residues height 1
select #3/B:91
color sel #00ffffff
show sel atoms
label sel residues height 1
select #4/A:100A
color sel #ffff00ff
show sel atoms
label sel residues height 1
select #4/B:50
color sel #00ffffff
show sel atoms
label sel residues height 1
select #4/B:32
color sel #00ffffff
show sel atoms
label sel residues height 1
select #4/A:99
color sel #ffff00ff
show sel atoms
label sel residues height 1
select #4/A:100B
color sel #ffff00ff
show sel atoms
label sel residues height 1
select #4/B:91
color sel #00ffffff
show sel atoms
label sel residues height 1
select #5/A:100
color sel #ffff00ff
show sel atoms
label sel residues height 1
select #5/B:50
color sel #00ffffff
show sel atoms
label sel residues height 1
select #5/B:32
color sel #00ffffff
show sel atoms
label sel residues height 1
select #5/B:91
color sel #00ffffff
show sel atoms
label sel residues height 1
sel
color sel byhetero
hide H
select clear
save /home/eshrock/Projects/eshrock_scratch_2024_02_28/antibody/2023_12_22_analysis_for_CoVAbDab_GRAB_paper/2024_07_24_GRAB_analysis/WT_filtered_SC_hotspot_contacts_mult_contexts_GRAB/chimerax_images/R_D_50_light_and_W_32_light_and_Y_91_light_len9_IGKV1-5_cluster_16.cxs
save /home/eshrock/Projects/eshrock_scratch_2024_02_28/antibody/2023_12_22_analysis_for_CoVAbDab_GRAB_paper/2024_07_24_GRAB_analysis/WT_filtered_SC_hotspot_contacts_mult_contexts_GRAB/chimerax_images/R_D_50_light_and_W_32_light_and_Y_91_light_len9_IGKV1-5_cluster_16.png width 859 height 785 supersample 3
close session

On Fri, Dec 8, 2023 at 8:41 PM Ellen Shrock <eshrock2023@gmail.com> wrote:
Thank you, Eric!

Best,
Ellen

On Fri, Dec 8, 2023 at 4:54 PM Eric Pettersen <pett@cgl.ucsf.edu> wrote:

On Dec 7, 2023, at 7:16 PM, Ellen Shrock via Chimera-users <chimera-users@cgl.ucsf.edu> wrote:

for res in list(chimera.selection.residues):

This should be:

from chimera.selection import currentResidues
for res in currententResidues():

There is no easy way to get the findclash command to append to a file.  You would have to open the file yourself, call the underlying findclash Python function, parse the results and format it into the output file.  Probably easier to just concatenate the files afterward with the Unix 'cat' command.

--Eric

Eric Pettersen
UCSF Computer Graphics Lab