Opened 2 years ago
Closed 17 months ago
#10156 closed defect (wontfix)
Various DCD errors
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | MD/Ensemble Analysis | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: Windows-10-10.0.22631
ChimeraX Version: 1.6.1 (2023-05-09 17:57:07 UTC)
Description
(Describe the actions that caused this problem to occur here)
Log:
UCSF ChimeraX version: 1.6.1 (2023-05-09)
© 2016-2023 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open C:\Users\HP\Desktop\base4.pdb format pdb
base4.pdb title:
Crystal structure of A 197-BP palindromic 601L nucleosome In complex with
linker histone H1 [more info...]
Chain information for base4.pdb #1
---
Chain | Description
I | DNA (197-mer)
J | DNA (197-mer)
> select add #1
6725 atoms, 7543 bonds, 328 residues, 1 model selected
> coulombic sel
Using Amber 20 recommended default charges and atom types for standard
residues
Coulombic values for base4.pdb_I SES surface #1.1: minimum, -29.71, mean
-15.33, maximum -4.05
Coulombic values for base4.pdb_J SES surface #1.2: minimum, -28.67, mean
-15.34, maximum -3.93
To also show corresponding color key, enter the above coulombic command and
add key true
> open C:/Users/HP/Desktop/try4.pdb
> select add #2
6818 atoms, 7646 bonds, 329 residues, 4 models selected
> select subtract #1
93 atoms, 103 bonds, 1 residue, 3 models selected
> hide #!1 models
> coulombic sel
Using Amber 20 recommended default charges and atom types for standard
residues
Assigning partial charges to residue UNK (net charge -1) with am1-bcc method
Atom whose IDATM type has no equivalent Sybyl type: UNK #/? UNK 1 O3 (type: O)
Running ANTECHAMBER command: D:/UCSF
ChceramX/ChimeraX/bin/amber20/bin/antechamber -ek qm_theory='AM1', -i
C:\Users\HP\AppData\Local\Temp\tmpart8j7ms\ante.in.mol2 -fi mol2 -o
C:\Users\HP\AppData\Local\Temp\tmpart8j7ms\ante.out.mol2 -fo mol2 -c bcc -nc
-1 -j 5 -s 2 -dr n
(UNK) ``
(UNK) `Welcome to antechamber 20.0: molecular input file processor.`
(UNK) ``
(UNK) `Info: Finished reading file
(C:\Users\HP\AppData\Local\Temp\tmpart8j7ms\ante.in.mol2); atoms read (93),
bonds read (103).`
(UNK) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`
(UNK) `Running: "D:/UCSF ChceramX/ChimeraX/bin/amber20/bin/bondtype" -j part
-i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`
(UNK) `bash.exe: warning: could not find /tmp, please create!`
(UNK) `Warning: For atom (ID: 16, Name: O3) the best APS is not zero.`
(UNK) ` Bonds involving this atom are frozen.`
(UNK) ``
(UNK) ``
(UNK) `Running: "D:/UCSF ChceramX/ChimeraX/bin/amber20/bin/atomtype" -i
ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff`
(UNK) `bash.exe: warning: could not find /tmp, please create!`
(UNK) `Info: Total number of electrons: 386; net charge: -1`
(UNK) ``
(UNK) `Running: "D:/UCSF ChceramX/ChimeraX/bin/amber20/bin/sqm" -O -i sqm.in
-o sqm.out`
(UNK) `bash.exe: warning: could not find /tmp, please create!`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID: 6,
Name: C3).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID: 6,
Name: C3).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID: 7,
Name: C4).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID: 7,
Name: C4).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID: 8,
Name: H2).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID: 8,
Name: H2).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID: 9,
Name: C5).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID: 9,
Name: C5).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
10, Name: C6).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
10, Name: C6).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
11, Name: H3).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
11, Name: H3).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
12, Name: H4).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
12, Name: H4).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
13, Name: C7).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
13, Name: C7).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
14, Name: C8).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
14, Name: C8).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
14, Name: C8).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
15, Name: O3).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
15, Name: O3).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
15, Name: O3).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
16, Name: H5).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
16, Name: H5).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
16, Name: H5).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
18, Name: C10).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
18, Name: C10).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
18, Name: C10).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
18, Name: C10).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
19, Name: C11).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
19, Name: C11).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
19, Name: C11).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
19, Name: C11).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
19, Name: C11).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
20, Name: C12).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
20, Name: C12).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
20, Name: C12).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
21, Name: C13).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
21, Name: C13).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
21, Name: C13).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
21, Name: C13).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
22, Name: C14).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
22, Name: C14).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
22, Name: C14).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
22, Name: C14).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
22, Name: C14).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
22, Name: C14).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
23, Name: C15).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
23, Name: C15).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
23, Name: C15).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
23, Name: C15).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
24, Name: C16).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
24, Name: C16).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
24, Name: C16).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
24, Name: C16).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
24, Name: C16).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
25, Name: C17).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
25, Name: C17).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
25, Name: C17).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
25, Name: C17).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
25, Name: C17).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
25, Name: C17).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
26, Name: H6).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
26, Name: H6).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
26, Name: H6).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
26, Name: H6).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
26, Name: H6).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
27, Name: H7).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
27, Name: H7).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
27, Name: H7).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
28, Name: C18).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
28, Name: C18).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
28, Name: C18).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
28, Name: C18).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
28, Name: C18).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
29, Name: H8).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
29, Name: H8).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
29, Name: H8).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
29, Name: H8).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
29, Name: H8).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
30, Name: C19).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
30, Name: C19).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
30, Name: C19).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
30, Name: C19).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
30, Name: C19).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
31, Name: H9).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
31, Name: H9).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
31, Name: H9).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
31, Name: H9).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
31, Name: H9).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
32, Name: C20).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
32, Name: C20).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
32, Name: C20).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
32, Name: C20).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
32, Name: C20).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
33, Name: H10).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
33, Name: H10).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
33, Name: H10).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
33, Name: H10).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
33, Name: H10).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
34, Name: H11).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
34, Name: H11).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
34, Name: H11).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
34, Name: H11).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
34, Name: H11).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
34, Name: H11).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
35, Name: C21).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
35, Name: C21).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
35, Name: C21).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
35, Name: C21).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
35, Name: C21).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
35, Name: C21).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
36, Name: C22).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
36, Name: C22).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
36, Name: C22).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
36, Name: C22).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
36, Name: C22).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
36, Name: C22).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
37, Name: H12).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
37, Name: H12).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
37, Name: H12).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
37, Name: H12).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
37, Name: H12).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
37, Name: H12).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
38, Name: H13).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
38, Name: H13).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
38, Name: H13).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
38, Name: H13).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
38, Name: H13).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
38, Name: H13).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
39, Name: H14).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
39, Name: H14).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
39, Name: H14).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
39, Name: H14).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
39, Name: H14).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
39, Name: H14).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
53, Name: C31).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
55, Name: C33).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
60, Name: H22).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
61, Name: C36).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
62, Name: C37).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
63, Name: C38).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
64, Name: H23).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
65, Name: H24).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
66, Name: C39).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
66, Name: C39).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
66, Name: C39).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
67, Name: C40).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
67, Name: C40).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
67, Name: C40).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
68, Name: H25).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
68, Name: H25).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
68, Name: H25).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
69, Name: C41).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
69, Name: C41).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
69, Name: C41).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
70, Name: C42).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
70, Name: C42).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
70, Name: C42).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
70, Name: C42).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
71, Name: C43).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
71, Name: C43).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
71, Name: C43).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
72, Name: C44).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
72, Name: C44).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
72, Name: C44).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
73, Name: H26).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
73, Name: H26).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
73, Name: H26).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
74, Name: H27).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
74, Name: H27).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
74, Name: H27).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
75, Name: H28).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
75, Name: H28).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
75, Name: H28).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
75, Name: H28).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
76, Name: C45).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
76, Name: C45).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
76, Name: C45).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
76, Name: C45).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
77, Name: H29).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
77, Name: H29).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
77, Name: H29).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
77, Name: H29).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
78, Name: C46).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
78, Name: C46).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
78, Name: C46).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
78, Name: C46).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
79, Name: C47).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
79, Name: C47).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
79, Name: C47).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
79, Name: C47).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
80, Name: C48).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
80, Name: C48).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
80, Name: C48).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
80, Name: C48).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
81, Name: H30).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
81, Name: H30).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
81, Name: H30).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
81, Name: H30).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
82, Name: C49).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
82, Name: C49).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
82, Name: C49).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
82, Name: C49).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
82, Name: C49).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
82, Name: C49).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
82, Name: C49).`
(UNK) ` Automatically increasing to 40000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
82, Name: C49).`
(UNK) ` Automatically increasing to 45000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
83, Name: C50).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
83, Name: C50).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
83, Name: C50).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
83, Name: C50).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
83, Name: C50).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
83, Name: C50).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
83, Name: C50).`
(UNK) ` Automatically increasing to 40000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
83, Name: C50).`
(UNK) ` Automatically increasing to 45000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
84, Name: H31).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
84, Name: H31).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
84, Name: H31).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
84, Name: H31).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
84, Name: H31).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
84, Name: H31).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
84, Name: H31).`
(UNK) ` Automatically increasing to 40000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
84, Name: H31).`
(UNK) ` Automatically increasing to 45000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
85, Name: C51).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
85, Name: C51).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
85, Name: C51).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
85, Name: C51).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
85, Name: C51).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
85, Name: C51).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
85, Name: C51).`
(UNK) ` Automatically increasing to 40000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
85, Name: C51).`
(UNK) ` Automatically increasing to 45000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
86, Name: C52).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
86, Name: C52).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
86, Name: C52).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
86, Name: C52).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
86, Name: C52).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
86, Name: C52).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
86, Name: C52).`
(UNK) ` Automatically increasing to 40000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
86, Name: C52).`
(UNK) ` Automatically increasing to 45000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
87, Name: H32).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
87, Name: H32).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
87, Name: H32).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
87, Name: H32).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
87, Name: H32).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
87, Name: H32).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
87, Name: H32).`
(UNK) ` Automatically increasing to 40000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
87, Name: H32).`
(UNK) ` Automatically increasing to 45000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
88, Name: H33).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
88, Name: H33).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
88, Name: H33).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
88, Name: H33).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
88, Name: H33).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
88, Name: H33).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
88, Name: H33).`
(UNK) ` Automatically increasing to 40000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
88, Name: H33).`
(UNK) ` Automatically increasing to 45000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
89, Name: C53).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
89, Name: C53).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
89, Name: C53).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
89, Name: C53).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
89, Name: C53).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
89, Name: C53).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
89, Name: C53).`
(UNK) ` Automatically increasing to 40000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
89, Name: C53).`
(UNK) ` Automatically increasing to 45000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
90, Name: H34).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
90, Name: H34).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
90, Name: H34).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
90, Name: H34).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
90, Name: H34).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
90, Name: H34).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
90, Name: H34).`
(UNK) ` Automatically increasing to 40000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
90, Name: H34).`
(UNK) ` Automatically increasing to 45000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
91, Name: H35).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
91, Name: H35).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
91, Name: H35).`
(UNK) ` Automatically increasing to 20000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
91, Name: H35).`
(UNK) ` Automatically increasing to 25000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
91, Name: H35).`
(UNK) ` Automatically increasing to 30000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
91, Name: H35).`
(UNK) ` Automatically increasing to 35000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
91, Name: H35).`
(UNK) ` Automatically increasing to 40000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
91, Name: H35).`
(UNK) ` Automatically increasing to 45000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
92, Name: H36).`
(UNK) ` Automatically increasing to 10000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
92, Name: H36).`
(UNK) ` Automatically increasing to 15000.`
(UNK) `Info: The number of path atoms exceeded MAXPATHATOMNUM for atom (ID:
92, Name: H36).`
(UNK) ` Automatically increasing to 20000.`
(UNK) ``
(UNK) `Running: "D:/UCSF ChceramX/ChimeraX/bin/amber20/bin/am1bcc" -i
ANTECHAMBER_AM1BCC_PRE.AC -o ANTECHAMBER_AM1BCC.AC -f ac -p "D:/UCSF
ChceramX/ChimeraX/bin/amber20/dat/antechamber/BCCPARM.DAT" -s 2 -j 1`
(UNK) `bash.exe: warning: could not find /tmp, please create!`
(UNK) ``
(UNK) `Running: "D:/UCSF ChceramX/ChimeraX/bin/amber20/bin/atomtype" -f ac -p
bcc -o ANTECHAMBER_AM1BCC.AC -i ANTECHAMBER_AM1BCC_PRE.AC`
(UNK) `bash.exe: warning: could not find /tmp, please create!`
(UNK) ``
Charges for residue UNK determined
Coulombic values for try4.pdb_ SES surface #2.1: minimum, -8.70, mean -1.63,
maximum 2.14
To also show corresponding color key, enter the above coulombic command and
add key true
> show #!1 models
> hide #!1 models
> show #!1 models
> select add #1
6818 atoms, 7646 bonds, 329 residues, 3 models selected
> select subtract #2
6725 atoms, 7543 bonds, 328 residues, 4 models selected
> color (#!1 & sel) dark gray
> select subtract #1
2 models selected
> select add #2
93 atoms, 103 bonds, 1 residue, 1 model selected
> ui mousemode right "translate selected models"
> view matrix models #2,1,0,0,88.984,0,1,0,-16.149,0,0,1,14.592
> view matrix models #2,1,0,0,68.23,0,1,0,-10.876,0,0,1,-1.4986
> view matrix models #2,1,0,0,86.048,0,1,0,34.125,0,0,1,29.652
> view matrix models #2,1,0,0,110.1,0,1,0,38.823,0,0,1,29.358
> select clear
Drag select of try4.pdb_ SES surface, 6240 of 14754 triangles, 41 atoms, 46
bonds
> color (#!2 & sel) red
> select clear
> save E:/2023下半学年研究生课程作业/1.bmp width 1128 height 693 supersample 3
> open E:/2023下半学年研究生课程作业/1.bmp
Expected array size based on DOCK file size is 2345134 which does not agree
with header array size -926003902 or byte swapped header array size 1112395464
No map chosen to save
> select add #1
6725 atoms, 7543 bonds, 328 residues, 1 model selected
> select add #2
6818 atoms, 7646 bonds, 329 residues, 4 models selected
No map chosen to save
[Repeated 1 time(s)]
> ui tool show "Model Loops"
No alignments chosen for modeling
> set bgColor #ffffff00
> ui favorite true "Model Panel"
> distance style decimalPlaces 4
[Repeated 1 time(s)]
> distance style decimalPlaces 3
[Repeated 1 time(s)]
> log metadata #1
Metadata for base4.pdb #1
---
Title | Crystal structure of A 197-BP palindromic 601L nucleosome In complex
with linker histone H1
Citation | Structure and dynamics of A 197 BP nucleosome In complexwith linker
histone H1. PMID: 28475873
Gene sources | Synthetic construct
Synthetic construct
Experimental method | X-ray diffraction
Resolution | 5.40Å
> log chains #1
Chain information for base4.pdb #1
---
Chain | Description
I | DNA (197-mer)
J | DNA (197-mer)
> log metadata #2
No models had metadata
> log chains #2
> cofr sel
> select subtract #1
93 atoms, 103 bonds, 1 residue, 4 models selected
> hide #!1 models
> hide #1.1 models
> hide #1.2 models
> ui tool show "Model Panel"
> ui mousemode right "link markers"
> set bgColor #55007f00
> set bgColor #55000000
> set bgColor #0000ff00
> set bgColor transparent
> ui tool show "Model Panel"
> ui mousemode right rotate
> ui mousemode right "next docked"
> save C:\Users\HP\Desktop\image1.png supersample 3
> open C:/Users/HP/Desktop/image1.png
Opened multi-channel map image1.png as #3, 3 channels, grid size 1692,1039,1,
pixel 1, shown at step 1, values uint8
> volume #3.1 level 0,0 level 25.5,0.8 level 255,1
> volume #3.1 level 0,0 level 23.61,0.7077 level 255,1
> open C:\Users\HP\Desktop\image1.png format images
Opened multi-channel map image1.png as #4, 3 channels, grid size 1692,1039,1,
pixel 1, shown at step 1, values uint8
> show #!1 models
> show #1.1 models
> show #1.2 models
> hide #1.1 models
> show #1.1 models
> hide #!3.1 models
> hide #!3 models
> hide #!3.2 models
> hide #!3.3 models
> close #3.1
> close #3.2
> close #3.3
> close #4.1
> close #4.2
> close #4.3
> show #3 models
> ui mousemode right translate
> ui mousemode right "translate selected models"
> view matrix models #2,1,0,0,128.39,0,1,0,86.117,0,0,1,74.656
> view matrix models #2,1,0,0,124.05,0,1,0,88.106,0,0,1,87.439
> select subtract #2
1 model selected
> select add #2.1
93 atoms, 1 residue, 1 model selected
> select add #1.2
3434 atoms, 164 residues, 3 models selected
> select add #1.1
6818 atoms, 329 residues, 4 models selected
> select add #1
6818 atoms, 7543 bonds, 329 residues, 5 models selected
> hide #3 models
> hide #4 models
> save C:/Users/HP/Desktop/1.dcd
Models have different number of atoms
> save C:/Users/HP/Desktop/model.dcd models #1
Traceback (most recent call last):
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 116, in <lambda>
lambda *args, ses=session: show_save_file_dialog(ses), tool_tip="Save output
file",
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 127, in show_save_file_dialog
_dlg.display(session, **kw)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\save_command\dialog.py", line 51, in display
run(session, cmd)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 75, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\save_command\cmd.py", line 90, in provider_save
saver_info.save(session, path, **provider_kw)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\md_crds\\__init__.py", line 140, in save
write_coords(session, path, "dcd", models)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\md_crds\write_coords.py", line 15, in write_coords
dcd = DCDWrite(file_name, DCDAtoms(models[0].atoms))
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\md_crds\dcd\MDToolsMarch97\md_DCD.py", line 420, in __init__
'REMARKS DATE: '+time.ctime(time.time())+' CREATED BY USER:
'+os.environ['USER']]
File "D:\UCSF ChceramX\ChimeraX\bin\lib\os.py", line 679, in __getitem__
raise KeyError(key) from None
KeyError: 'USER'
KeyError: 'USER'
File "D:\UCSF ChceramX\ChimeraX\bin\lib\os.py", line 679, in __getitem__
raise KeyError(key) from None
See log for complete Python traceback.
'Attribute name' field is blank
> open C:/Users/HP/Desktop/model.dcd
Traceback (most recent call last):
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\open_command\dialog.py", line 162, in _qt_safe
run(session, "open " + " ".join([FileNameArg.unparse(p) for p in paths]) + (""
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\open_command\cmd.py", line 119, in cmd_open
models = Command(session, registry=registry).run(provider_cmd_text,
log=log)[0]
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\open_command\cmd.py", line 194, in provider_open
models, status = collated_open(session, None, [data], data_format,
_add_models,
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\open_command\cmd.py", line 464, in collated_open
return remember_data_format()
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\open_command\cmd.py", line 435, in remember_data_format
models, status = func(*func_args, **func_kw)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\md_crds\\__init__.py", line 100, in open
num_coords = read_coords(session, data, structure_model, md_type,
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\md_crds\read_coords.py", line 35, in read_coords
dcd = DCD(file_name)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\md_crds\dcd\MDToolsMarch97\md_DCD.py", line 169, in __init__
size = up('i',f.read(cs('i')))[0]
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\md_crds\dcd\MDToolsMarch97\md_DCD.py", line 111, in
endianFunc
return struct.unpack(*args)
struct.error: unpack requires a buffer of 4 bytes
struct.error: unpack requires a buffer of 4 bytes
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\md_crds\dcd\MDToolsMarch97\md_DCD.py", line 111, in
endianFunc
return struct.unpack(*args)
See log for complete Python traceback.
> open C:/Users/HP/Desktop/model.dcd
Traceback (most recent call last):
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\open_command\dialog.py", line 162, in _qt_safe
run(session, "open " + " ".join([FileNameArg.unparse(p) for p in paths]) + (""
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\open_command\cmd.py", line 119, in cmd_open
models = Command(session, registry=registry).run(provider_cmd_text,
log=log)[0]
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\core\commands\cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\open_command\cmd.py", line 194, in provider_open
models, status = collated_open(session, None, [data], data_format,
_add_models,
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\open_command\cmd.py", line 464, in collated_open
return remember_data_format()
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\open_command\cmd.py", line 435, in remember_data_format
models, status = func(*func_args, **func_kw)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\md_crds\\__init__.py", line 100, in open
num_coords = read_coords(session, data, structure_model, md_type,
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\md_crds\read_coords.py", line 35, in read_coords
dcd = DCD(file_name)
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\md_crds\dcd\MDToolsMarch97\md_DCD.py", line 169, in __init__
size = up('i',f.read(cs('i')))[0]
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\md_crds\dcd\MDToolsMarch97\md_DCD.py", line 111, in
endianFunc
return struct.unpack(*args)
struct.error: unpack requires a buffer of 4 bytes
struct.error: unpack requires a buffer of 4 bytes
File "D:\UCSF ChceramX\ChimeraX\bin\lib\site-
packages\chimerax\md_crds\dcd\MDToolsMarch97\md_DCD.py", line 111, in
endianFunc
return struct.unpack(*args)
See log for complete Python traceback.
OpenGL version: 3.3.0 NVIDIA 529.04
OpenGL renderer: NVIDIA GeForce RTX 4060 Laptop GPU/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Python: 3.9.11
Locale: zh_CN.cp936
Qt version: PyQt6 6.4.2, Qt 6.4.2
Qt runtime version: 6.4.3
Qt platform: windows
Manufacturer: HP
Model: OMEN by HP Gaming Laptop 16-wf0xxx
OS: Microsoft Windows 11 家庭中文版 (Build 22631)
Memory: 16,858,472,448
MaxProcessMemory: 137,438,953,344
CPU: 20 13th Gen Intel(R) Core(TM) i5-13500HX
OSLanguage: zh-CN
Installed Packages:
alabaster: 0.7.13
appdirs: 1.4.4
asttokens: 2.2.1
Babel: 2.12.1
backcall: 0.2.0
beautifulsoup4: 4.11.2
blockdiag: 3.0.0
build: 0.10.0
certifi: 2023.5.7
cftime: 1.6.2
charset-normalizer: 3.1.0
ChimeraX-AddCharge: 1.5.9.1
ChimeraX-AddH: 2.2.5
ChimeraX-AlignmentAlgorithms: 2.0.1
ChimeraX-AlignmentHdrs: 3.3.1
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 2.9.3
ChimeraX-AlphaFold: 1.0
ChimeraX-AltlocExplorer: 1.0.3
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.43.10
ChimeraX-AtomicLibrary: 10.0.6
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.3.2
ChimeraX-BasicActions: 1.1.2
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 2.1.2
ChimeraX-BondRot: 2.0.1
ChimeraX-BugReporter: 1.0.1
ChimeraX-BuildStructure: 2.8
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.2.2
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.3.2
ChimeraX-ChangeChains: 1.0.2
ChimeraX-CheckWaters: 1.3.1
ChimeraX-ChemGroup: 2.0.1
ChimeraX-Clashes: 2.2.4
ChimeraX-ColorActions: 1.0.3
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.3
ChimeraX-CommandLine: 1.2.5
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.6.1
ChimeraX-CoreFormats: 1.1
ChimeraX-coulombic: 1.4.2
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.3
ChimeraX-Dicom: 1.2
ChimeraX-DistMonitor: 1.4
ChimeraX-DockPrep: 1.1.1
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ESMFold: 1.0
ChimeraX-FileHistory: 1.0.1
ChimeraX-FunctionKey: 1.0.1
ChimeraX-Geometry: 1.3
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.1.1
ChimeraX-Hbonds: 2.4
ChimeraX-Help: 1.2.1
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.1
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-Label: 1.1.7
ChimeraX-ListInfo: 1.1.1
ChimeraX-Log: 1.1.5
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.8.2
ChimeraX-Map: 1.1.4
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0.1
ChimeraX-MapFilter: 2.0.1
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1.1
ChimeraX-Markers: 1.0.1
ChimeraX-Mask: 1.0.2
ChimeraX-MatchMaker: 2.0.12
ChimeraX-MDcrds: 2.6
ChimeraX-MedicalToolbar: 1.0.2
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.12
ChimeraX-MMTF: 2.2
ChimeraX-Modeller: 1.5.9
ChimeraX-ModelPanel: 1.3.7
ChimeraX-ModelSeries: 1.0.1
ChimeraX-Mol2: 2.0
ChimeraX-Mole: 1.0
ChimeraX-Morph: 1.0.2
ChimeraX-MouseModes: 1.2
ChimeraX-Movie: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nifti: 1.0
ChimeraX-NRRD: 1.0
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.10.1
ChimeraX-PDB: 2.7.2
ChimeraX-PDBBio: 1.0
ChimeraX-PDBLibrary: 1.0.2
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1
ChimeraX-PubChem: 2.1
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.1
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.1
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.1
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 3.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.1
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.8.3
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.1.1
ChimeraX-ShowSequences: 1.0.1
ChimeraX-SideView: 1.0.1
ChimeraX-Smiles: 2.1
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.10.3
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.1.2
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.2.1
ChimeraX-TapeMeasure: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.1.2
ChimeraX-ToolshedUtils: 1.2.1
ChimeraX-Topography: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.28.4
ChimeraX-uniprot: 2.2.2
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.2
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0.1
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0.2
ChimeraX-WebServices: 1.1.1
ChimeraX-Zone: 1.0.1
colorama: 0.4.6
comm: 0.1.3
comtypes: 1.1.14
contourpy: 1.0.7
cxservices: 1.2.2
cycler: 0.11.0
Cython: 0.29.33
debugpy: 1.6.7
decorator: 5.1.1
docutils: 0.19
executing: 1.2.0
filelock: 3.9.0
fonttools: 4.39.3
funcparserlib: 1.0.1
grako: 3.16.5
h5py: 3.8.0
html2text: 2020.1.16
idna: 3.4
ihm: 0.35
imagecodecs: 2022.9.26
imagesize: 1.4.1
importlib-metadata: 6.6.0
ipykernel: 6.21.1
ipython: 8.10.0
ipython-genutils: 0.2.0
ipywidgets: 8.0.6
jedi: 0.18.2
Jinja2: 3.1.2
jupyter-client: 8.0.2
jupyter-core: 5.3.0
jupyterlab-widgets: 3.0.7
kiwisolver: 1.4.4
line-profiler: 4.0.2
lxml: 4.9.2
lz4: 4.3.2
MarkupSafe: 2.1.2
matplotlib: 3.6.3
matplotlib-inline: 0.1.6
msgpack: 1.0.4
nest-asyncio: 1.5.6
netCDF4: 1.6.2
networkx: 2.8.8
nibabel: 5.0.1
nptyping: 2.5.0
numexpr: 2.8.4
numpy: 1.23.5
openvr: 1.23.701
packaging: 23.1
ParmEd: 3.4.3
parso: 0.8.3
pep517: 0.13.0
pickleshare: 0.7.5
Pillow: 9.3.0
pip: 23.0
pkginfo: 1.9.6
platformdirs: 3.5.0
prompt-toolkit: 3.0.38
psutil: 5.9.4
pure-eval: 0.2.2
pycollada: 0.7.2
pydicom: 2.3.0
Pygments: 2.14.0
pynrrd: 1.0.0
PyOpenGL: 3.1.5
PyOpenGL-accelerate: 3.1.5
pyparsing: 3.0.9
pyproject-hooks: 1.0.0
PyQt6-commercial: 6.4.2
PyQt6-Qt6: 6.4.3
PyQt6-sip: 13.4.1
PyQt6-WebEngine-commercial: 6.4.0
PyQt6-WebEngine-Qt6: 6.4.3
python-dateutil: 2.8.2
pytz: 2023.3
pywin32: 305
pyzmq: 25.0.2
qtconsole: 5.4.0
QtPy: 2.3.1
RandomWords: 0.4.0
requests: 2.28.2
scipy: 1.9.3
setuptools: 67.4.0
sfftk-rw: 0.7.3
six: 1.16.0
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
soupsieve: 2.4.1
sphinx: 6.1.3
sphinx-autodoc-typehints: 1.22
sphinxcontrib-applehelp: 1.0.4
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 1.0.2
sphinxcontrib-htmlhelp: 2.0.1
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 1.0.3
sphinxcontrib-serializinghtml: 1.1.5
stack-data: 0.6.2
tables: 3.7.0
tcia-utils: 1.2.0
tifffile: 2022.10.10
tinyarray: 1.2.4
tomli: 2.0.1
tornado: 6.3.1
traitlets: 5.9.0
typing-extensions: 4.5.0
tzdata: 2023.3
urllib3: 1.26.15
wcwidth: 0.2.6
webcolors: 1.12
wheel: 0.38.4
wheel-filename: 1.4.1
widgetsnbextension: 4.0.7
WMI: 1.5.1
zipp: 3.15.0
Change History (2)
comment:1 by , 2 years ago
| Component: | Unassigned → MD/Ensemble Analysis |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → Various DCD errors |
comment:2 by , 17 months ago
| Resolution: | → wontfix |
|---|---|
| Status: | accepted → closed |
Note:
See TracTickets
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After failing to save a DCD, user tries to open that selfsame failed DCD.