VMD-L Mailing List

From: Mario Valle (mvalle_at_cscs.ch)
Date: Mon Feb 19 2007 - 09:12:33 CST

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
>> 

-- 
Ing. Mario Valle
Visualization Group                              | http://www.cscs.ch/~mvalle
Swiss National Supercomputing Centre (CSCS)      | Tel:  +41 (91) 610.82.60
v. Cantonale Galleria 2, 6928 Manno, Switzerland | Fax:  +41 (91) 610.82.82