Issue with opening PDB file

[Sharat Chandra]

Hi

I have a pdb file which is attached with this mail. When I try to open with VESTA, it freezes. After waiting for something like five minutes, I get the error message shown in the screenshot.

Even after clicking Abort, WINDOWS10 is unable to close to close VESTA and it has to be terminated using the TaskManager.

If I write the data as MOL file, VESTA is able to open it without any problems. The mol file is also attached with this mail for your reference.

I am using the Windows 10 system, with the latest 26th September version of VESTA. This seems like there is some bug in the program.

Regards

Sharat

[KK M]

same thing happened here. using VESTA 3.4.7.

.mol file got opened. 

can you send another .pdb file which you could open?

or is it happening with all PDB files?

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[Sharat Chandra]

I now tried with the pdb example files in the VESTA-Examples available from the VESTA website, which are fairly small pdb files. All of them opened without any problem. In the originally posted pdb file, there is the CRYST1 line which defines the lattice parameters which is being incorrectly written. When it is removed, or commented, VESTA is able to read the pdb file.

Thanks for your interest.

On Thursday, November 12, 2020 at 12:42:16 PM UTC+5:30, KK M wrote:

same thing happened here. using VESTA 3.4.7.

.mol file got opened. 

can you send another .pdb file which you could open?

or is it happening with all PDB files?

On Thu, Nov 12, 2020 at 4:41 PM Sharat Chandra <sha...@gmail.com> wrote:

Hi

I have a pdb file which is attached with this mail. When I try to open with VESTA, it freezes. After waiting for something like five minutes, I get the error message shown in the screenshot.

Even after clicking Abort, WINDOWS10 is unable to close to close VESTA and it has to be terminated using the TaskManager.

If I write the data as MOL file, VESTA is able to open it without any problems. The mol file is also attached with this mail for your reference.

I am using the Windows 10 system, with the latest 26th September version of VESTA. This seems like there is some bug in the program.

Regards

Sharat

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[KK M]

good finding. thanks. it might help me in future.

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