Opened 2 years ago
Closed 16 months ago
#10156 closed defect (wontfix)
Various DCD errors
Reported by: | Owned by: | pett | |
---|---|---|---|
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 , 16 months ago
Resolution: | → wontfix |
---|---|
Status: | accepted → closed |
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After failing to save a DCD, user tries to open that selfsame failed DCD.