﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
1464	Addh on 1jj2: list index out of range	lpravda@…	Eric Pettersen	"{{{
The following bug report has been submitted:
Platform:        Darwin-18.2.0-x86_64-i386-64bit
ChimeraX Version: 0.8 (2018-11-19)
Description
add hbond true. fails on Linux too.

Log:
UCSF ChimeraX version: 0.8 (2018-11-19)  
How to cite UCSF ChimeraX  

> open 1jj2 fromDatabase pdbe_updated

1jj2 title:  
Fully Refined Crystal Structure of the Haloarcula marismortui Large Ribosomal
Subunit at 2.4 Angstrom Resolution [more info...]  
  
Chain information for 1jj2 #1  
---  
Chain | Description  
0 | 23S ribosomal RNA  
1 | ribosomal protein L39E  
2 | ribosomal protein L44E  
9 | 5S ribosomal RNA  
A | ribosomal protein L2  
B | ribosomal protein L3  
C | ribosomal protein L4  
D | ribosomal protein L5  
E | ribosomal protein L6  
F | ribosomal protein L7AE  
G | ribosomal protein L10  
H | ribosomal protein L10E  
I | ribosomal protein L13  
J | ribosomal protein L14  
K | ribosomal protein L15  
L | ribosomal protein L15E  
M | ribosomal protein L18  
N | ribosomal protein L18E  
O | ribosomal protein L19E  
P | ribosomal protein L21E  
Q | ribosomal protein L22  
R | ribosomal protein L23  
S | ribosomal protein L24  
T | ribosomal protein L24E  
U | ribosomal protein L29  
V | ribosomal protein L30  
W | ribosomal protein L31E  
X | ribosomal protein L32E  
Y | RIBOSOMAL PROTEIN L37Ae  
Z | ribosomal protein L37E  
  
  

> addh hbond true

Termini for 1jj2 (#1) chain 1 determined from SEQRES records  
Termini for 1jj2 (#1) chain O determined from SEQRES records  
Termini for 1jj2 (#1) chain P determined from SEQRES records  
Termini for 1jj2 (#1) chain F determined from SEQRES records  
Termini for 1jj2 (#1) chain Y determined from SEQRES records  
Termini for 1jj2 (#1) chain K determined from SEQRES records  
Termini for 1jj2 (#1) chain J determined from SEQRES records  
Termini for 1jj2 (#1) chain A determined from SEQRES records  
Termini for 1jj2 (#1) chain H determined from SEQRES records  
Termini for 1jj2 (#1) chain V determined from SEQRES records  
Termini for 1jj2 (#1) chain E determined from SEQRES records  
Termini for 1jj2 (#1) chain S determined from SEQRES records  
Termini for 1jj2 (#1) chain 9 determined from SEQRES records  
Termini for 1jj2 (#1) chain 2 determined from SEQRES records  
Termini for 1jj2 (#1) chain X determined from SEQRES records  
Termini for 1jj2 (#1) chain M determined from SEQRES records  
Termini for 1jj2 (#1) chain W determined from SEQRES records  
Termini for 1jj2 (#1) chain R determined from SEQRES records  
Termini for 1jj2 (#1) chain Q determined from SEQRES records  
Termini for 1jj2 (#1) chain 0 determined from SEQRES records  
Termini for 1jj2 (#1) chain U determined from SEQRES records  
Termini for 1jj2 (#1) chain Z determined from SEQRES records  
Termini for 1jj2 (#1) chain T determined from SEQRES records  
Termini for 1jj2 (#1) chain L determined from SEQRES records  
Termini for 1jj2 (#1) chain I determined from SEQRES records  
Termini for 1jj2 (#1) chain G determined from SEQRES records  
Termini for 1jj2 (#1) chain C determined from SEQRES records  
Termini for 1jj2 (#1) chain B determined from SEQRES records  
Termini for 1jj2 (#1) chain D determined from SEQRES records  
Termini for 1jj2 (#1) chain N determined from SEQRES records  
Chain-initial residues that are actual N termini: /1 GLY 1, /O THR 1, /P PRO
1, /F PRO 1, /Y ARG 10, /K THR 1, /J MET 1, /A GLY 1, /H LYS 1, /V MET 1, /E
PRO 1, /S SER 1, /9 U 1, /2 MET 1, /M ALA 1, /R SER 1, /Q GLY 1, /U THR 1, /Z
THR 1, /L ALA 1, /C MET 1, /B PRO 1, /N SER 1  
Chain-initial residues that are not actual N termini: /1 ARG 35, /K PHE 89, /H
ASP 109, /X THR 95, /W GLU 7, /0 U 10, /0 A 128, /0 G 716, /0 C 999, /0 U
1561, /0 U 1964, /0 G 2237, /0 G 2344, /0 G 2667, /T ARG 4, /I ALA 4, /G ILE
12, /G ARG 63, /D PHE 10, /D ALA 35, /D LEU 128  
Chain-final residues that are actual C termini: /1 GLU 49, /P GLU 95, /F ARG
119, /Y ALA 82, /J VAL 132, /H ALA 167, /V ARG 154, /S ALA 119, /9 C 122, /2
GLU 92, /M LEU 186, /Z GLU 56, /L ALA 194, /I TRP 145, /C ARG 246, /B GLY 337,
/N ARG 115  
Chain-final residues that are not actual C termini: /1 GLU 31, /O ALA 143, /K
GLU 83, /K GLN 150, /A GLY 237, /H LYS 97, /E PRO 172, /X VAL 236, /W GLU 88,
/R ILE 81, /Q PRO 150, /0 U 125, /0 U 714, /0 U 970, /0 A 1559, /0 G 1951, /0
G 2136, /0 G 2338, /0 A 2664, /0 A 2914, /U ASP 65, /T ARG 56, /G SER 29, /G
ASP 73, /D HIS 29, /D GLY 107, /D VAL 174  
Missing OXT added to C-terminal residue /1 GLU 49  
Missing OXT added to C-terminal residue /P GLU 95  
Missing OXT added to C-terminal residue /F ARG 119  
Missing OXT added to C-terminal residue /Y ALA 82  
Missing OXT added to C-terminal residue /J VAL 132  
Missing OXT added to C-terminal residue /H ALA 167  
Missing OXT added to C-terminal residue /V ARG 154  
Missing OXT added to C-terminal residue /S ALA 119  
Missing OXT added to C-terminal residue /M LEU 186  
Missing OXT added to C-terminal residue /Z GLU 56  
Missing OXT added to C-terminal residue /L ALA 194  
Missing OXT added to C-terminal residue /I TRP 145  
Missing OXT added to C-terminal residue /C ARG 246  
Missing OXT added to C-terminal residue /B GLY 337  
Missing OXT added to C-terminal residue /N ARG 115  
Traceback (most recent call last):  
File
""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-
packages/chimerax/cmd_line/tool.py"", line 225, in execute  
cmd.run(cmd_text)  
File
""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-
packages/chimerax/core/commands/cli.py"", line 2581, in run  
result = ci.function(session, **kw_args)  
File
""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-
packages/chimerax/atomic/addh/cmd.py"", line 55, in cmd_addh  
add_h_func(session, structures, in_isolation=in_isolation, **prot_schemes)  
File
""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-
packages/chimerax/atomic/addh/cmd.py"", line 163, in hbond_add_hydrogens  
idatm_type, his_Ns, coordinations, in_isolation)  
File
""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-
packages/chimerax/atomic/addh/hbond.py"", line 241, in add_hydrogens  
hbonds = find_hbonds(session, s_list, dist_slop=rec_dist_slop,
angle_slop=rec_angle_slop)  
File
""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-
packages/chimerax/atomic/hbonds/hbond.py"", line 489, in find_hbonds  
limited_acceptors, generic_acc_info)  
File
""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-
packages/chimerax/atomic/hbonds/hbond.py"", line 749, in _find_acceptors  
acc_atom = group[acc_indices[i]]  
IndexError: list index out of range  
  




OpenGL version: 4.1 ATI-2.2.8
OpenGL renderer: AMD Radeon Pro 560 OpenGL Engine
OpenGL vendor: ATI Technologies Inc.

}}}
"	defect	closed	normal		Structure Editing		fixed						all	ChimeraX
