VMD-L Mailing List

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Mon Feb 19 2007 - 09:55:24 CST

Yeah, the 32-bit linux is where I first found it. It didn't happen on
64-bit linux though, which is why it became platform specific in my
book. In any case, I've found and patched the culprit, so it'll be fixed
in 1.8.6. Mario, I can send you an updated version of the plugin if you
can let me know your preferred platform.
Peter

Mario Valle wrote:
> Peter,
> does not appear to be a Windows specific problem.
> Here is a component (CFC) from 1A3L that exhibits the same problem on Linux with VMD 1.8.5
> Note the M"0@� characters and the Fe atom exported as X (missing test in getmol2ff() routine).
> Ciao!
> mario
>
>
> Peter Freddolino wrote:
>
>> Hi Mario,
>> there appears to be some platform-specific weirdness going on with the
>> plugin. I'll have a look and get back to you. Thanks for pointing this out.
>> Peter
>>
>> Mario Valle wrote:
>>
>>> The save coordinates with format MOL2 produces a strange result file.
>>> Load the attached PDB file (extracted from PDB 6RSA) and then save
>>> coordinates as MOL2 format (attached).
>>> Notice the strange t[SOH] after the atom type, the V and D atoms
>>> (corrected in VMD) exported as type X. idem for 1H2 and 2H2 hydrogen
>>> atoms.
>>> Tested on Windows with 1.8.5
>>>
>>> Have a nice weekend!
>>> mario
>>>
>>>
>
>