Opened 6 years ago
Closed 6 years ago
#2948 closed defect (duplicate)
"sequence chain" fails after chain lengthened
Reported by: | Owned by: | pett | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Sequence | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: Linux-3.10.0-1062.9.1.el7.x86_64-x86_64-with-centos-7.7.1908-Core ChimeraX Version: 0.92 (2020-03-08) Description I was using ISOLDE to model the protein. However, I just noticed that I am not even able to save the session and I am getting this error message (screenshot attached). Log: UCSF ChimeraX version: 0.92 (2020-03-08) © 2016-2020 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX Successfully installed 'ChimeraX_ISOLDE-1.0b4.dev2-cp37-cp37m-linux_x86_64.whl' Looking in indexes: https://pypi.org/simple, https://cxtoolshed.rbvi.ucsf.edu/pypi/ Processing /home/ym337/.cache/ChimeraX/0.92/installers/ChimeraX_ISOLDE-1.0b4.dev2-cp37-cp37m-linux_x86_64.whl Requirement already satisfied, skipping upgrade: ChimeraX-Atomic>=1.0 in /nfs4/suffolk/MBU/software/chimerax/chimerax-0.92/lib/python3.7/site-packages (from ChimeraX-ISOLDE==1.0b4.dev2) (1.0) Requirement already satisfied, skipping upgrade: ChimeraX-Core==0.92 in /nfs4/suffolk/MBU/software/chimerax/chimerax-0.92/lib/python3.7/site-packages (from ChimeraX-ISOLDE==1.0b4.dev2) (0.92) Requirement already satisfied, skipping upgrade: ChimeraX-Clipper==0.11.* in /nfs4/suffolk/Homes/ym337/.local/share/ChimeraX/0.92/site-packages (from ChimeraX-ISOLDE==1.0b4.dev2) (0.11.1) Installing collected packages: ChimeraX-ISOLDE Attempting uninstall: ChimeraX-ISOLDE Found existing installation: ChimeraX-ISOLDE 1.0b4.dev2 Uninstalling ChimeraX-ISOLDE-1.0b4.dev2: Successfully uninstalled ChimeraX-ISOLDE-1.0b4.dev2 Successfully installed ChimeraX-ISOLDE-1.0b4.dev2 Lock 47072785360848 acquired on /home/ym337/.cache/ChimeraX/0.92/toolshed/bundle_info.cache.lock Lock 47072785360848 released on /home/ym337/.cache/ChimeraX/0.92/toolshed/bundle_info.cache.lock > open > /nfs4/suffolk/WorkComplexID/ym337/Para_SC_Biochem_16Inga19/PostProcess/job1613/isolde/working_CIII_CytC_4.cxs Summary of feedback from opening /nfs4/suffolk/WorkComplexID/ym337/Para_SC_Biochem_16Inga19/PostProcess/job1613/isolde/working_CIII_CytC_4.cxs --- warning | restore_snapshot for "RotamerRestraintMgr" returned None opened ChimeraX session > sequence chain #1/c Alignment identifier is 1.1.c Traceback (most recent call last): File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/cmd_line/tool.py", line 258, in execute cmd.run(cmd_text) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/commands/cli.py", line 2845, in run result = ci.function(session, **kw_args) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seqalign/cmd.py", line 141, in seqalign_chain auto_associate=None, intrinsic=True) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seqalign/manager.py", line 244, in new_alignment alignment=alignment) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/toolshed/info.py", line 453, in run_provider return api._api_caller.run_provider(api, session, name, mgr, **kw) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/toolshed/__init__.py", line 1632, in run_provider return cls._get_func(api, "run_provider")(session, name, mgr, **kw) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seq-view/__init__.py", line 40, in run_provider return _start_seq_viewer(session, "Sequence Viewer", alignment) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seq-view/tool.py", line 693, in _start_seq_viewer return SequenceViewer(session, tool_name, alignment) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seq-view/tool.py", line 55, in __init__ self._finalize_init(alignment) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seq-view/tool.py", line 174, in _finalize_init self.seq_canvas = SeqCanvas(parent, self, self.alignment) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seq-view/seq_canvas.py", line 184, in __init__ self.layout_alignment() File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seq-view/seq_canvas.py", line 780, in layout_alignment self.label_width, self.font_pixels, self.numbering_widths, self.letter_gaps()) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seq-view/seq_canvas.py", line 1602, in __init__ self.layout_lines(alignment.seqs, self.normal_label_color) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seq-view/seq_canvas.py", line 2244, in layout_lines self._layout_line(line, label_color, bli, end) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seq-view/seq_canvas.py", line 2237, in _layout_line numberings[numbering] = self._make_numbering(line, numbering) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seq-view/seq_canvas.py", line 2329, in _make_numbering x, y = self.item_aux_info[line][-1] IndexError: list index out of range IndexError: list index out of range File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seq-view/seq_canvas.py", line 2329, in _make_numbering x, y = self.item_aux_info[line][-1] See log for complete Python traceback. Unknown command: sequenchain /d > sequence chain #1/d Alignment identifier is 1.1.d > isolde start > set selectionWidth 4 Done loading forcefield Traceback (most recent call last): File "/home/ym337/.local/share/ChimeraX/0.92/site- packages/chimerax/isolde/isolde.py", line 2549, in _xtal_mask_to_selection self._xtal_mask_to_atoms(sel, focus) File "/home/ym337/.local/share/ChimeraX/0.92/site- packages/chimerax/isolde/isolde.py", line 2558, in _xtal_mask_to_atoms atoms, 0, context, cutoff, focus=focus) File "/home/ym337/.local/share/ChimeraX/0.92/site- packages/chimerax/clipper/symmetry.py", line 930, in isolate_and_cover_selection extra_padding=extra_padding) File "/home/ym337/.local/share/ChimeraX/0.92/site- packages/chimerax/clipper/maps/map_mgr.py", line 358, in cover_atoms zm.set_symmetry_map(atoms, transforms, transform_indices) File "/home/ym337/.local/share/ChimeraX/0.92/site- packages/chimerax/clipper/maps/mask_handler.py", line 111, in set_symmetry_map self.structure = self._unique_structure(atoms) File "/home/ym337/.local/share/ChimeraX/0.92/site- packages/chimerax/clipper/maps/mask_handler.py", line 176, in _unique_structure raise TypeError('All atoms for zone mask must be from a single model!') TypeError: All atoms for zone mask must be from a single model! TypeError: All atoms for zone mask must be from a single model! File "/home/ym337/.local/share/ChimeraX/0.92/site- packages/chimerax/clipper/maps/mask_handler.py", line 176, in _unique_structure raise TypeError('All atoms for zone mask must be from a single model!') See log for complete Python traceback. > isolde restrain distances #1/d:3-434 templateAtoms #1/a:3-434 Traceback (most recent call last): File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/cmd_line/tool.py", line 258, in execute cmd.run(cmd_text) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/commands/cli.py", line 2845, in run result = ci.function(session, **kw_args) File "/home/ym337/.local/share/ChimeraX/0.92/site- packages/chimerax/isolde/restraints/cmd.py", line 48, in restrain_distances model_residues, **kwargs) File "/home/ym337/.local/share/ChimeraX/0.92/site- packages/chimerax/isolde/restraints/restraint_utils.py", line 527, in restrain_atom_distances_to_template session, template_residues, restrained_residues ValueError: not enough values to unpack (expected 2, got 0) ValueError: not enough values to unpack (expected 2, got 0) File "/home/ym337/.local/share/ChimeraX/0.92/site- packages/chimerax/isolde/restraints/restraint_utils.py", line 527, in restrain_atom_distances_to_template session, template_residues, restrained_residues See log for complete Python traceback. > select #1/a 7136 atoms, 7287 bonds, 1 model selected > select #1/d 7142 atoms, 7293 bonds, 1 model selected > select clear > select clear Found iron-sulfur cysteine Found iron-sulfur cysteine Found iron-sulfur cysteine > select clear > save working_CIII_CytC_5.cxs Traceback (most recent call last): File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 276, in process data = sm.take_snapshot(obj, session, self.state_flags) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seq-view/tool.py", line 616, in take_snapshot 'region browser': self.region_browser.save_state(), AttributeError: 'SequenceViewer' object has no attribute 'region_browser' The above exception was the direct cause of the following exception: Traceback (most recent call last): File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 796, in save session.save(output, version=version, include_maps=include_maps) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 556, in save mgr.discovery(self._state_containers) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 255, in discovery self.processed[key] = self.process(obj, parents) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 279, in process raise RuntimeError(msg) from e RuntimeError: Error while saving session data for 'tools' -> <chimerax.core.tools.Tools object at 0x2ba79bdd9f50> -> <chimerax.seq- view.tool.SequenceViewer object at 0x2ba87fd6b6d0> RuntimeError: Error while saving session data for 'tools' -> -> File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 279, in process raise RuntimeError(msg) from e See log for complete Python traceback. Traceback (most recent call last): File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 276, in process data = sm.take_snapshot(obj, session, self.state_flags) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seq-view/tool.py", line 616, in take_snapshot 'region browser': self.region_browser.save_state(), AttributeError: 'SequenceViewer' object has no attribute 'region_browser' The above exception was the direct cause of the following exception: Traceback (most recent call last): File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/cmd_line/tool.py", line 258, in execute cmd.run(cmd_text) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/commands/cli.py", line 2845, in run result = ci.function(session, **kw_args) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/commands/save.py", line 61, in save fmt.export(session, filename, fmt.nicknames[0], **kw) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/io.py", line 229, in export result = self.export_func(session, path, **kw) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 796, in save session.save(output, version=version, include_maps=include_maps) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 556, in save mgr.discovery(self._state_containers) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 255, in discovery self.processed[key] = self.process(obj, parents) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 279, in process raise RuntimeError(msg) from e RuntimeError: Error while saving session data for 'tools' -> <chimerax.core.tools.Tools object at 0x2ba79bdd9f50> -> <chimerax.seq- view.tool.SequenceViewer object at 0x2ba87fd6b6d0> RuntimeError: Error while saving session data for 'tools' -> -> File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 279, in process raise RuntimeError(msg) from e See log for complete Python traceback. > save working_CIII_CytC_5.cxs Traceback (most recent call last): File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 276, in process data = sm.take_snapshot(obj, session, self.state_flags) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seq-view/tool.py", line 616, in take_snapshot 'region browser': self.region_browser.save_state(), AttributeError: 'SequenceViewer' object has no attribute 'region_browser' The above exception was the direct cause of the following exception: Traceback (most recent call last): File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 796, in save session.save(output, version=version, include_maps=include_maps) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 556, in save mgr.discovery(self._state_containers) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 255, in discovery self.processed[key] = self.process(obj, parents) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 279, in process raise RuntimeError(msg) from e RuntimeError: Error while saving session data for 'tools' -> <chimerax.core.tools.Tools object at 0x2ba79bdd9f50> -> <chimerax.seq- view.tool.SequenceViewer object at 0x2ba87fd6b6d0> RuntimeError: Error while saving session data for 'tools' -> -> File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 279, in process raise RuntimeError(msg) from e See log for complete Python traceback. Traceback (most recent call last): File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 276, in process data = sm.take_snapshot(obj, session, self.state_flags) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seq-view/tool.py", line 616, in take_snapshot 'region browser': self.region_browser.save_state(), AttributeError: 'SequenceViewer' object has no attribute 'region_browser' The above exception was the direct cause of the following exception: Traceback (most recent call last): File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/cmd_line/tool.py", line 258, in execute cmd.run(cmd_text) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/commands/cli.py", line 2845, in run result = ci.function(session, **kw_args) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/commands/save.py", line 61, in save fmt.export(session, filename, fmt.nicknames[0], **kw) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/io.py", line 229, in export result = self.export_func(session, path, **kw) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 796, in save session.save(output, version=version, include_maps=include_maps) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 556, in save mgr.discovery(self._state_containers) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 255, in discovery self.processed[key] = self.process(obj, parents) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 279, in process raise RuntimeError(msg) from e RuntimeError: Error while saving session data for 'tools' -> <chimerax.core.tools.Tools object at 0x2ba79bdd9f50> -> <chimerax.seq- view.tool.SequenceViewer object at 0x2ba87fd6b6d0> RuntimeError: Error while saving session data for 'tools' -> -> File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 279, in process raise RuntimeError(msg) from e See log for complete Python traceback. Empty filename passed to function > save session > /work/complex_iD/ym337/Para_SC_Biochem_16Inga19/PostProcess/CIII_cytc552_wrt_job1531_job1613/isolde/working_CIII_CytC_5.cxs Traceback (most recent call last): File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 276, in process data = sm.take_snapshot(obj, session, self.state_flags) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seq-view/tool.py", line 616, in take_snapshot 'region browser': self.region_browser.save_state(), AttributeError: 'SequenceViewer' object has no attribute 'region_browser' The above exception was the direct cause of the following exception: Traceback (most recent call last): File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 796, in save session.save(output, version=version, include_maps=include_maps) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 556, in save mgr.discovery(self._state_containers) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 255, in discovery self.processed[key] = self.process(obj, parents) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 279, in process raise RuntimeError(msg) from e RuntimeError: Error while saving session data for 'tools' -> <chimerax.core.tools.Tools object at 0x2ba79bdd9f50> -> <chimerax.seq- view.tool.SequenceViewer object at 0x2ba87fd6b6d0> RuntimeError: Error while saving session data for 'tools' -> -> File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 279, in process raise RuntimeError(msg) from e See log for complete Python traceback. Traceback (most recent call last): File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 276, in process data = sm.take_snapshot(obj, session, self.state_flags) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/seq-view/tool.py", line 616, in take_snapshot 'region browser': self.region_browser.save_state(), AttributeError: 'SequenceViewer' object has no attribute 'region_browser' The above exception was the direct cause of the following exception: Traceback (most recent call last): File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/ui/gui.py", line 935, in <lambda> save_action.triggered.connect(lambda arg, s=self, sess=session: s.file_save_cb(sess)) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/ui/gui.py", line 651, in file_save_cb self.save_dialog.display(self, session) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/ui/save_dialog.py", line 139, in display fmt.save(session, filename) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 1100, in save run(session, cmd) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/commands/run.py", line 31, in run results = command.run(text, log=log) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/commands/cli.py", line 2845, in run result = ci.function(session, **kw_args) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 992, in save_session save(session, filename, **kw) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/commands/save.py", line 61, in save fmt.export(session, filename, fmt.nicknames[0], **kw) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/io.py", line 229, in export result = self.export_func(session, path, **kw) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 796, in save session.save(output, version=version, include_maps=include_maps) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 556, in save mgr.discovery(self._state_containers) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 255, in discovery self.processed[key] = self.process(obj, parents) File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 279, in process raise RuntimeError(msg) from e RuntimeError: Error while saving session data for 'tools' -> <chimerax.core.tools.Tools object at 0x2ba79bdd9f50> -> <chimerax.seq- view.tool.SequenceViewer object at 0x2ba87fd6b6d0> RuntimeError: Error while saving session data for 'tools' -> -> File "/usr/mbu/software/chimerax/chimerax-0.92/lib/python3.7/site- packages/chimerax/core/session.py", line 279, in process raise RuntimeError(msg) from e See log for complete Python traceback. OpenGL version: 3.3.0 NVIDIA 440.33.01 OpenGL renderer: GeForce GTX 1080/PCIe/SSE2 OpenGL vendor: NVIDIA Corporation File attachment: Screenshot from 2020-03-12 16-07-20.png
Attachments (1)
Change History (3)
by , 6 years ago
Attachment: | Screenshot from 2020-03-12 16-07-20.png added |
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comment:1 by , 6 years ago
Component: | Unassigned → Sequence |
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Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → accepted |
Summary: | ChimeraX bug report submission → "sequence chain" fails after chain lengthened |
comment:2 by , 6 years ago
Resolution: | → duplicate |
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Status: | accepted → closed |
Hi Yaikhomba,
I see this is essentially the same problem you reported 8 days ago (ticket #2919). It's not easy for me to reproduce, since I would have to learn how to use ISOLDE to lengthen a chain, and then hope that's enough to actually reproduce the issue.
If that script I sent you allows you save a session, could you send the session to me so I will have something that reproduces the problem so I can work on it? If you don't want it part of this quasi-public ticket, you could send it directly to me in email. My email should accept large attachments.
--Eric
Eric Pettersen
UCSF Computer Graphics Lab
Added by email2trac